data_2mfe_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 2mfe _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 ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 83.6 mm-40 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.5 mm-40 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.432 HD13 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.432 HH11 HD13 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 79.6 mm-40 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.411 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.462 ' HD3' HG22 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.451 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 82.3 mm-40 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.405 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' C' ' 7' ' ' LYS . 12.9 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 80.7 mm-40 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.411 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.411 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.3 mm-40 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 82.6 mm-40 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.506 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.446 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.5 mm-40 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 83.1 mm-40 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.566 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.566 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.41 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.41 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 78.5 mm-40 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.6 mm-40 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 79.5 mm-40 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.412 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.471 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.471 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 82.3 mm-40 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 HE21 ' A' ' 52' ' ' GLN . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.49 HE21 HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.409 ' HZ3' ' HB2' ' C' ' 38' ' ' LYS . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.428 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 72.0 mm-40 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 80.2 mm-40 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.0 mm-40 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.47 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.47 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.44 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.9 mm-40 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 82.9 mm-40 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.566 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.566 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.405 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.417 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.0 mm-40 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 82.6 mm-40 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.498 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.498 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 85.2 mm-40 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.544 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.544 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.425 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.44 HG23 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 68.8 mm-40 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 81.0 mm-40 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.1 mm-40 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.543 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HD3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HB ' ' HD3' ' A' ' 44' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 HG22 HE21 ' A' ' 52' ' ' GLN . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.461 HE21 HG22 ' A' ' 51' ' ' ILE . 90.9 mm-40 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' HD13 ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.5 mm-40 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.3 mm-40 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.523 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 84.0 mm-40 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.471 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.462 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.1 mm-40 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 81.5 mm-40 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 82.1 mm-40 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 82.4 mm-40 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.521 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.521 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.5 mm-40 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 83.6 mm-40 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.343 -3.357 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 99.081 -3.619 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.416 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C4'-C3'-C2' 99.3 -3.4 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.508 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.195 -3.505 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.539 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.612 -3.088 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.616 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 111.886 3.686 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.616 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 111.621 3.421 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 108.366 -3.146 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 N19-C1'-C2' 108.829 -2.857 . 0.282 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.402 ' N3 ' " C2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.185 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 1 O4'-C1'-N19 112.434 4.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.471 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C5'-C4'-C3' 110.658 -3.228 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.4 HO2' ' P ' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C5'-C4'-C3' 108.131 -4.913 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.471 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 P-O3'-C3' 124.441 3.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.56 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.292 -3.408 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.56 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.179 -3.521 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.415 -3.285 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.513 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.88 -2.82 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.472 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.874 -2.826 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.472 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 98.903 -3.797 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.654 -3.046 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.5 mm-40 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.53 152.38 12.42 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.12 166.19 30.17 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.915 3.077 . . . . 0.0 110.978 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.532 0.285 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.403 175.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.499 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.771 -2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.554 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.446 -3.254 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.554 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.335 -3.365 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.663 -3.037 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.604 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 98.794 -3.906 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.611 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.554 -3.146 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.611 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.79 3.59 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.278 -3.422 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 N19-C1'-C2' 108.189 -3.257 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 N19-C1'-C2' 109.894 -2.191 . 0.156 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.476 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C5'-C4'-C3' 111.516 -2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 110.915 -3.057 . 0.13 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.406 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.574 3.374 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 98.741 -3.959 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.414 -3.286 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.496 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.983 -3.717 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.496 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.393 -3.307 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.787 -2.913 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.613 -3.087 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.919 -3.781 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.206 3.006 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.432 HD13 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.547 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.584 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.348 -3.352 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.584 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.401 -3.299 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.459 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.599 -3.101 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.49 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.13 -3.57 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.516 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.427 -3.273 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.596 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.149 -3.551 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.596 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 98.841 -3.859 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 108.901 -2.812 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.438 3.238 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.439 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.466 -2.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.489 -2.674 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.439 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C5'-C4'-C3' 110.518 -3.321 . 0.035 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 109.854 -3.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.431 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.828 -2.872 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.068 -3.632 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.514 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.514 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.773 -2.927 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.495 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.722 -2.978 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.495 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.076 -3.624 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.243 3.043 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.432 HH11 HD13 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.403 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.433 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 79.6 mm-40 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.95 152.07 14.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.62 -176.94 1.32 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.999 3.133 . . . . 0.0 112.596 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.615 -174.279 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.836 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.274 -3.426 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.538 -3.162 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.405 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.528 -3.172 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.405 " H5'" HO2' ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.06 -3.64 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.566 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.261 -3.439 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.566 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.761 3.561 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 111.601 3.401 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.117 -2.583 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.912 0 O4'-C1'-N19 110.815 2.615 . 0.171 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.405 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 110.239 -3.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C5'-C4'-C3' 111.219 -2.854 . 0.101 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 110.911 2.711 OUTLIER-DELTA 0.023 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.423 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.295 3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.419 -3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.326 -3.374 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.481 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.901 -3.799 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.481 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.312 -3.388 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.433 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.883 -2.817 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.433 " H5'" HO2' ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.723 -2.977 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C4'-C3'-C2' 99.221 -3.479 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.492 3.292 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' C2 ' ' D' ' 30' ' ' ' C' . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.721 -2.979 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.568 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.324 -3.376 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.568 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.463 -3.237 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.415 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 O4'-C1'-N19 111.34 3.14 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.415 " H5'" HO2' ' B' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 98.978 -3.722 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.698 -3.002 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O4'-C1'-N19 111.892 3.692 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.451 3.251 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 109.818 -3.788 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.712 -2.988 . 0.123 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.526 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.396 -2.736 . 0.179 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.422 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 111.314 -2.791 OUTLIER-DELTA 0.02 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.429 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.972 -3.728 . 0.021 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.491 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.609 -3.091 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.523 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C4'-C3'-C2' 99.266 -3.434 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.523 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.141 -3.559 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.548 -3.152 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.478 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 99.586 -3.114 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.478 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.05 -3.65 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.531 -3.169 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.411 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.462 ' HD3' HG22 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.526 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.451 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 82.3 mm-40 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 156.91 14.01 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.05 -169.35 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 124.396 3.397 . . . . 0.0 111.643 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 123.299 0.64 . . . . 0.0 111.859 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.692 -3.008 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.431 -3.269 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.628 -3.072 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.407 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 111.027 2.827 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.407 " H5'" HO2' ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 C4'-C3'-C2' 98.553 -4.147 . 0.778 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.585 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.608 -3.092 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.585 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.271 -3.429 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 112.182 3.982 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 N19-C1'-C2' 107.885 -3.447 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 N19-C1'-C2' 108.87 -2.831 . 0.363 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.409 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.726 -3.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C5'-C4'-C3' 111.133 -2.911 . 0.128 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 110.482 -3.345 . 0.043 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.5 ' C2 ' HD23 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.602 -5.265 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.582 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 P-O3'-C3' 124.345 3.871 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.587 HO2' " H5'" ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.099 -3.601 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.587 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.967 -3.733 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.473 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.478 -3.222 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.13 -2.57 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.478 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.703 -2.997 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.554 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.046 -3.654 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.554 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.157 2.957 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' C' ' 7' ' ' LYS . 12.9 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 80.7 mm-40 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.502 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.805 -2.895 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.502 " H5'" HO2' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.252 -3.448 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.085 -3.615 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.41 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 O4'-C1'-N19 111.273 3.073 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.41 " H5'" HO2' ' B' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.87 -3.83 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.605 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.081 -3.619 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.605 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 111.909 3.709 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.287 3.087 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 N19-C1'-C2' 108.38 -3.137 . 0.714 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.904 -2.796 . 0.225 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.495 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C5'-C4'-C3' 110.668 -3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.708 -2.528 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.527 -3.315 . 0.053 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.494 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C5'-C4'-C3' 107.805 -5.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.576 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 P-O3'-C3' 124.459 3.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.576 " H5'" HO2' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 99.49 -3.21 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.562 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 98.839 -3.861 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.512 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.215 -3.485 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.512 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.835 -2.865 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.492 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.775 -2.925 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 98.975 -3.725 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.248 3.048 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.494 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.495 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.411 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.411 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.3 mm-40 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.25 142.3 38.63 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.65 -20.89 7.08 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.47 3.447 . . . . 0.0 114.359 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 122.439 0.296 . . . . 0.0 110.481 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.104 -3.596 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.566 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.28 -3.42 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.566 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.254 -3.446 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.218 3.018 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.215 -3.485 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.88 -3.82 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.606 HO2' " H5'" ' D' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 O4'-C1'-N19 111.49 3.29 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . 0.606 " H5'" HO2' ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.243 3.043 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C5'-C4'-C3' 109.391 -4.073 . 0.49 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.069 -2.631 . 0.041 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.435 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 110.809 -3.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 113.052 4.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.53 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.418 3.218 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.775 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.53 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.521 -3.179 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.462 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.24 -3.46 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.462 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.34 -3.36 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.444 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.452 -3.248 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.494 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.84 -2.86 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.575 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.037 -3.663 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.575 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.164 2.964 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 82.6 mm-40 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.542 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.342 -3.358 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.542 " H5'" HO2' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.365 -3.335 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.4 -3.3 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.479 3.279 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.977 -3.723 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 98.996 -3.704 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C4'-C3'-C2' 99.287 -3.413 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.042 -3.658 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 O4'-C1'-N19 111.325 3.125 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.072 -2.628 . 0.185 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.462 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 112.164 -2.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 110.972 -3.019 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.398 3.198 . 0.124 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-C3' 110.166 -3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.646 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 C4'-C3'-C2' 98.426 -4.274 . 0.04 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.646 " H5'" HO2' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.123 -3.577 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.513 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.067 -3.633 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.502 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C4'-C3'-C2' 99.342 -3.358 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.495 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.589 -3.111 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.502 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.736 -2.964 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.502 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.14 -3.56 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.719 -2.981 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.462 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.506 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.446 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.5 mm-40 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.35 153.41 9.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.49 -176.84 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 124.019 3.146 . . . . 0.0 112.574 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.025 -173.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.715 -2.985 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.576 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.405 -3.295 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.576 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.953 -3.747 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.557 -3.143 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.356 -3.344 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.539 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.585 -3.115 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.539 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 C4'-C3'-C2' 99.448 -3.252 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.874 3.674 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 108.495 -3.066 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 99.803 -2.897 . 0.392 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.416 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.926 -3.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 110.869 -3.087 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.429 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.218 3.018 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 111.462 -2.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.629 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.629 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.374 -3.326 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.542 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.232 -3.468 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.506 -3.194 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.504 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.132 2.932 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.51 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.736 -2.964 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.557 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.304 -3.396 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.992 2.792 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 83.1 mm-40 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.508 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.66 -3.04 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.508 " H5'" HO2' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C4'-C3'-C2' 99.397 -3.303 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.338 -3.362 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.411 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.632 -3.068 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.411 " H5'" HO2' ' B' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.113 -3.587 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.544 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.551 -3.149 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.591 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.902 -3.798 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.591 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.806 3.606 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 N19-C1'-C2' 108.29 -3.194 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 N19-C1'-C2' 108.916 -2.803 . 0.251 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.537 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-C3' 112.232 -2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.109 2.909 . 0.041 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.173 2.973 OUTLIER-DELTA 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 N19-C1'-C2' 109.078 -2.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.51 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.273 -3.427 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.51 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.092 -3.608 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.379 -3.321 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.656 -3.044 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.481 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.99 -2.71 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.152 -3.548 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.551 -3.149 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.566 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.566 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.41 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.41 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.407 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.537 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 78.5 mm-40 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.6 155.84 13.36 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.26 -168.5 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 124.486 3.457 . . . . 0.0 111.159 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.124 -176.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 100.033 -2.667 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.561 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.307 -3.393 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.561 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.03 -3.67 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.429 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.538 -3.162 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.429 " H5'" HO2' ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.258 -3.442 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.5 -3.2 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.522 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.736 3.536 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.795 3.595 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 N19-C1'-C2' 108.492 -3.068 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.981 3.781 . 0.362 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.405 ' N3 ' " C2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 111.397 -2.736 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.268 -2.821 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.96 -3.027 OUTLIER-DELTA 0.029 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.65 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.803 -2.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.533 HO2' " H5'" ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.356 -3.344 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.533 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.112 -3.588 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.252 -3.448 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.539 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.867 -2.833 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.5 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.784 -2.916 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.568 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.112 -3.588 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.568 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.293 3.093 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CD1' " H4'" ' B' ' 30' ' ' ' C' . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.846 -2.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.509 -3.191 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.315 -3.385 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 O4'-C1'-N19 111.122 2.922 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.422 -4.278 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 99.849 -2.851 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.914 3.714 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.818 3.618 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 N19-C1'-C2' 108.47 -3.081 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 N19-C1'-C2' 109.092 -2.692 . 0.2 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.493 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 111.055 -2.963 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.426 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 110.698 -3.202 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.41 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.808 3.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.608 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C4'-C3'-C2' 98.66 -4.04 . 0.011 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.608 " H5'" HO2' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.457 -3.243 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.522 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.058 -3.642 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.241 -3.459 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.035 -2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.547 -3.153 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.211 -3.489 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.733 -2.967 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 55.9 m-70 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.6 mm-40 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 150.04 40.73 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.06 165.27 28.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 124.005 3.136 . . . . 0.0 110.628 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.827 177.568 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.418 -3.282 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.4 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.506 -3.194 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.4 " H5'" HO2' ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.589 -3.111 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.364 -3.336 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.545 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.552 -3.148 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.545 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 111.765 3.565 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.817 3.617 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 N19-C1'-C2' 107.938 -3.414 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.627 -3.073 . 0.484 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.522 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.978 -2.348 . 0.066 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.465 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.501 3.301 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 110.024 -3.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.465 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.842 -2.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.583 -3.117 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.441 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.004 -3.696 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.482 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.387 -3.313 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.482 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.469 -3.231 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.535 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 C4'-C3'-C2' 99.849 -2.851 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.588 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.258 -3.442 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.588 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C4'-C3'-C2' 99.81 -2.89 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 79.5 mm-40 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.547 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.329 -3.371 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.547 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.162 -3.538 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.584 -3.116 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.554 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.045 -3.655 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.554 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.145 -3.555 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.253 -3.447 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.196 -3.504 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.375 -3.325 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 N19-C1'-C2' 109.954 -2.154 . 0.091 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.548 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.046 -2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.236 -2.843 . 0.262 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.581 " H2'" H5'' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.581 H5'' " H2'" ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.709 3.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.569 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.545 1 P-O3'-C3' 124.84 4.283 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.6 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.502 1 C4'-C3'-C2' 98.662 -4.038 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.6 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 98.813 -3.887 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.501 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.416 HO2' " H5'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.651 -3.049 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.467 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.669 -3.031 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.467 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.189 -3.511 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.309 3.109 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.412 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.428 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.548 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.471 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.471 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 82.3 mm-40 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.14 152.47 10.98 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.18 -176.33 1.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 124.092 3.195 . . . . 0.0 112.48 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.636 -175.273 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.521 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.554 -3.146 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.521 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.432 -3.268 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.205 -3.495 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.447 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.391 -3.309 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.502 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.16 -3.54 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.542 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C4'-C3'-C2' 99.379 -3.321 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.542 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.707 3.507 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.874 3.674 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 N19-C1'-C2' 108.41 -3.118 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 110.702 2.502 . 0.249 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.419 ' N3 ' " C2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.01 -2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C5'-C4'-C3' 111.424 -2.717 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.414 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.079 -2.948 OUTLIER-DELTA 0.045 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 109.569 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.597 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.623 -3.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.597 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.205 -3.495 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.54 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.989 -3.711 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.47 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.546 -3.154 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.901 -2.799 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.526 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.581 -3.119 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.526 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.229 -3.471 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.572 -3.128 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.544 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 HH22 " H3'" ' D' ' 25' ' ' ' A' . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 HE21 ' A' ' 52' ' ' GLN . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.49 HE21 HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.276 -3.424 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.539 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.339 -3.361 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.401 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.401 -3.299 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.401 " H5'" HO2' ' B' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.001 -3.699 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.986 -2.714 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.051 -3.649 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 112.12 3.92 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.481 -3.219 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C5'-C4'-C3' 110.897 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.454 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.857 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 110.283 -3.478 . 0.011 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.454 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 110.714 -3.191 . 0.05 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.119 -3.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.628 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.628 " H5'" HO2' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.554 -3.146 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.493 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.127 -3.573 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.543 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.352 -3.348 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.543 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.069 2.869 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.517 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.8 -2.9 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.048 -3.652 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.354 3.154 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.455 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.409 ' HZ3' ' HB2' ' C' ' 38' ' ' LYS . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.428 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 72.0 mm-40 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.39 152.77 52.63 Favored Pre-proline 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.33 164.75 33.4 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.678 2.919 . . . . 0.0 111.542 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.577 178.781 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.807 -2.893 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.561 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.163 -3.537 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.561 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.452 -3.248 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.072 2.872 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 98.872 -3.828 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.561 -3.139 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 98.93 -3.77 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . 0.458 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.383 -3.317 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.237 -2.463 . 0.044 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.544 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 111.25 -2.833 . 0.17 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.456 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.652 3.452 OUTLIER-DELTA 0.012 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.455 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 C4'-C3'-C2' 98.518 -4.182 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.478 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.915 -3.785 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.478 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.231 -3.469 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.407 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.601 -3.099 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.485 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.719 -2.981 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.562 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.14 -3.56 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.562 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.458 3.258 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.435 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 80.2 mm-40 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.584 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.584 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.316 -3.384 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.465 -3.235 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 98.997 -3.703 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.781 -2.919 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.606 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.285 -3.415 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.606 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.603 3.403 . 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 C5'-C4'-C3' 109.38 -4.08 . 0.401 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 99.703 -2.997 . 0.108 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.476 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.817 -2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.79 4.59 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.48 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.893 3.693 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 111.509 3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.48 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.859 -2.841 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.55 -3.15 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.458 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.181 -3.519 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.406 -3.294 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.496 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.635 -3.065 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.478 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.847 -2.853 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.478 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.571 -3.129 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.427 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.0 mm-40 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.21 155.41 17.62 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.7 164.35 35.99 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.21 3.273 . . . . 0.0 110.827 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.626 179.727 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.697 -3.003 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.39 -3.31 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.452 -3.248 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.351 3.151 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C4'-C3'-C2' 98.345 -4.355 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.592 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.372 -3.328 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.592 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.694 3.494 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 N19-C1'-C2' 107.245 -3.847 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 100.758 -1.942 . 0.167 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.411 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-C3' 111.061 -2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.327 -2.782 . 0.078 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.606 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.737 3.537 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.606 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.745 3.545 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 P-O3'-C3' 125.218 4.598 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.539 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.148 -3.552 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.537 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 C4'-C3'-C2' 98.699 -4.001 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.228 -3.472 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.727 -2.973 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.501 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.765 -2.935 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.228 -3.472 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.371 3.171 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 " H1'" ' D' ' 30' ' ' ' C' . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.716 -2.984 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.58 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.365 -3.335 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.58 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.33 -3.37 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.171 2.971 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.557 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C4'-C3'-C2' 98.436 -4.264 . 0.83 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.557 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.523 -3.177 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.803 3.603 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.72 -3.98 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 N19-C1'-C2' 108.431 -3.106 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 100.289 -2.411 . 0.104 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.494 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.397 -2.735 . 0.104 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.418 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 111.017 -2.989 OUTLIER-DELTA 0.033 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.81 3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.92 -3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.27 -3.43 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 98.903 -3.797 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.321 -3.379 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.434 HO2' " H5'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.649 -3.051 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.496 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.814 -2.886 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.561 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.167 -3.533 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.561 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.665 -3.035 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.47 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.47 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.44 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.9 mm-40 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.86 156.01 13.85 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.95 -168.14 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.092 3.194 . . . . 0.0 111.592 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 124.154 0.982 . . . . 0.0 109.207 -175.133 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.592 -3.108 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.22 -3.48 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.078 -3.622 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.402 " H5'" HO2' ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.564 -3.136 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.523 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C4'-C3'-C2' 98.569 -4.131 . 0.837 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.618 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 98.966 -3.734 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.618 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.651 3.451 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 O4'-C1'-N19 112.072 3.872 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . 0.42 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.143 2.943 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 N19-C1'-C2' 109.178 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.46 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.807 -2.462 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.431 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-C3' 110.369 -3.421 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.4 " H1'" HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C5'-C4'-C3' 109.138 -4.241 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.593 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 P-O3'-C3' 124.513 4.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.593 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C4'-C3'-C2' 99.343 -3.357 . 0.554 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.575 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 98.912 -3.788 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.53 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.58 -3.12 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.53 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.665 -3.035 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.489 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.807 -2.893 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.489 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.226 -3.474 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.754 -2.946 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 82.9 mm-40 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.365 -3.335 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.242 -3.458 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.118 2.918 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.557 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.888 -3.812 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.646 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 98.923 -3.777 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.646 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 99.462 -3.238 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.625 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 99.366 -3.334 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.057 -3.643 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 100.016 -2.684 . 0.549 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.513 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 1 O4'-C1'-N19 112.716 4.516 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.4 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.479 3.279 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 C5'-C4'-C3' 108.184 -4.878 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 124.509 4.008 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.592 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.045 -3.655 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.592 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 C4'-C3'-C2' 98.684 -4.016 . 0.717 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.554 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.468 -3.232 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.409 HO2' " H5'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.966 -2.734 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.503 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.676 -3.024 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.503 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.11 -3.59 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.237 3.037 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.566 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.566 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.513 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.405 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.417 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.0 mm-40 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 146.43 45.6 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 167.06 20.59 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.097 3.198 . . . . 0.0 111.35 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.821 176.619 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.476 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.65 -3.05 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.543 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.366 -3.334 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.543 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.518 -3.182 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.354 -3.346 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.603 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.899 -3.801 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.603 " H5'" HO2' ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 110.728 2.528 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.481 HO2' " H5'" ' D' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.256 -3.444 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 112.104 3.904 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 N19-C1'-C2' 108.667 -2.958 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 110.866 2.666 . 0.183 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.403 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 110.846 -3.102 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.49 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C5'-C4'-C3' 110.309 -3.461 . 0.044 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.49 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.715 -2.985 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.479 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.025 -3.675 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.479 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.292 -3.408 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.406 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.635 -3.065 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.449 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.652 -3.048 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.449 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.221 -3.479 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.418 -3.282 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 82.6 mm-40 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.551 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.551 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 99.118 -3.582 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 111.236 3.036 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.553 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.865 -3.835 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.553 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 98.916 -3.784 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.642 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.747 3.547 . 0.647 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.642 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 O4'-C1'-N19 111.52 3.32 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.414 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C4'-C3'-C2' 99.254 -3.446 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.851 -2.849 . 0.301 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.55 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 111.187 -2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 111.725 -2.516 . 0.176 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.415 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.836 -3.109 OUTLIER-DELTA 0.025 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.426 HO2' ' P ' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 C5'-C4'-C3' 108.489 -4.674 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.599 HO2' " H5'" ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 P-O3'-C3' 124.494 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.599 " H5'" HO2' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.175 -3.525 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.458 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.827 -3.873 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.515 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.4 -3.3 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.515 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.968 -2.732 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.502 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.634 -3.066 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.557 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.873 -3.827 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.211 3.011 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.424 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.498 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.41 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.498 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.55 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 85.2 mm-40 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 154.9 27.45 Favored Pre-proline 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.55 -164.25 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 124.255 3.303 . . . . 0.0 111.106 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.102 0.961 . . . . 0.0 109.306 -174.643 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.762 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.35 -3.35 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.539 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.149 -3.551 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.414 3.214 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.717 -3.983 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.616 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.117 -3.583 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.616 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.759 3.559 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.673 3.473 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 108.009 -3.37 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.748 -2.952 . 0.526 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.405 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C5'-C4'-C3' 110.963 -3.025 . 0.16 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.406 ' C8 ' HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.692 3.492 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.424 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.545 3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.62 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 98.735 -3.965 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.62 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.258 -3.442 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.531 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C4'-C3'-C2' 99.01 -3.69 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.484 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.547 -3.153 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.562 -3.138 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.498 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C4'-C3'-C2' 99.447 -3.253 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.578 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.336 -3.364 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.578 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.458 -3.242 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.523 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.335 -3.365 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.568 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.385 -3.315 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.568 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.242 -3.458 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.179 2.979 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.606 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 C4'-C3'-C2' 98.601 -4.099 . 0.827 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.606 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.45 -3.25 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.602 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 111.741 3.541 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.224 4.024 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.4 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 N19-C1'-C2' 108.814 -2.866 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C4'-C3'-C2' 100.177 -2.523 . 0.16 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.505 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.365 -2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.033 -2.978 . 0.083 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.424 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.518 3.318 OUTLIER-DELTA 0.021 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.588 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C4'-C3'-C2' 98.895 -3.805 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.541 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.439 -3.261 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.541 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.534 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.242 -3.458 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.534 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.758 -2.942 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.417 " H5'" HO2' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.539 -3.161 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.549 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.343 -3.357 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.549 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.68 -3.02 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.544 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.544 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.425 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.505 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.44 HG23 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 68.8 mm-40 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.86 151.4 64.18 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.92 166.59 24.89 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.274 3.316 . . . . 0.0 110.605 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.239 176.222 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.847 -2.853 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.56 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.56 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.374 -3.326 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.333 3.133 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 C4'-C3'-C2' 98.696 -4.004 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.561 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.768 -2.932 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.561 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.547 3.347 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.652 3.452 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.008 -3.661 . 0.839 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.681 -3.019 . 0.313 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.467 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.92 -3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 110.898 -3.068 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.419 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.571 3.371 OUTLIER-DELTA 0.015 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.512 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 109.354 -4.097 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.414 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.152 2 P-O3'-C3' 124.751 4.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.523 HO2' " H5'" ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.868 -2.832 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.526 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.052 -3.648 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.344 -3.356 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.502 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.731 -2.969 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.507 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.893 -2.807 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.575 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.101 -3.599 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.575 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.184 2.984 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.452 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 81.0 mm-40 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.674 -3.026 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.568 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.546 -3.154 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.568 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.133 -3.567 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.404 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.669 -3.031 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.587 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.637 -4.063 . 0.81 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.587 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.339 -3.361 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.737 3.537 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 O4'-C1'-N19 111.591 3.391 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 108.344 -3.16 . 0.534 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 N19-C1'-C2' 109.067 -2.708 . 0.072 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.493 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 110.722 -3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-C3' 111.15 -2.9 . 0.099 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.41 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 110.579 -3.281 . 0.042 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.492 ' C2 ' HD21 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.17 -4.887 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.449 ' P ' HO2' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 P-O3'-C3' 124.289 3.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.57 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.24 -3.46 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.57 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 98.853 -3.847 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.516 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.464 -3.236 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.866 -2.834 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.018 2.818 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 98.946 -3.754 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.223 3.023 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.468 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.492 HD21 ' C2 ' ' B' ' 30' ' ' ' C' . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 83.1 mm-40 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.33 154.86 10.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.85 -176.16 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.793 2.996 . . . . 0.0 112.537 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t0 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 124.12 0.968 . . . . 0.0 109.83 -173.075 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.575 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.456 -3.244 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.575 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.227 -3.473 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.414 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.797 -2.903 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.575 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.707 -3.993 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.612 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.641 -3.059 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.612 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.071 -3.629 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.958 -3.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.253 3.053 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.208 0 N19-C1'-C2' 109.576 -2.39 . 0.142 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.452 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.674 -2.55 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 110.951 -3.033 . 0.138 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.417 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 111.231 3.031 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.468 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.583 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.813 -3.887 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.583 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.392 -3.308 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.553 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.94 -3.76 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.479 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.331 -3.369 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 100.025 -2.675 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.689 -3.011 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.585 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.323 -3.377 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.585 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.229 3.029 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.543 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.513 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HD3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HB ' ' HD3' ' A' ' 44' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 HG22 HE21 ' A' ' 52' ' ' GLN . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.461 HE21 HG22 ' A' ' 51' ' ' ILE . 90.9 mm-40 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' HD13 ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.58 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.615 -3.085 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.58 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.391 -3.309 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.169 2.969 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 1 C4'-C3'-C2' 98.275 -4.425 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.626 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.375 -3.325 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.626 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.819 3.619 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.444 3.244 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 110.637 -3.242 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.0 -2.7 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.462 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.564 -2.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 111.427 -2.716 . 0.072 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.462 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.443 -3.371 . 0.04 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.47 ' C2 ' HD23 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 C5'-C4'-C3' 109.343 -4.105 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.505 4.004 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.372 -3.328 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.484 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 98.81 -3.89 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.484 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.36 -3.34 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.403 HO2' " H5'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.774 -2.926 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.499 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.795 -2.905 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.499 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.983 -3.717 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.196 2.996 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.449 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.47 HD23 ' C2 ' ' B' ' 30' ' ' ' C' . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.5 mm-40 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 150.45 18.12 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.13 166.49 28.94 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 124.195 3.264 . . . . 0.0 111.134 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.828 175.112 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.521 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.521 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.414 -3.286 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.44 -3.26 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C4'-C3'-C2' 99.645 -3.055 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.57 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.449 -4.251 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.57 " H5'" HO2' ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.748 -2.952 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.649 HO2' " H5'" ' D' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 111.813 3.613 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . 0.649 " H5'" HO2' ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.033 -3.667 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.193 -3.507 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.72 -2.98 . 0.265 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.513 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.542 -2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-C3' 111.306 -2.796 . 0.205 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.449 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 O4'-C1'-N19 111.371 3.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.607 HO2' " H5'" ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C4'-C3'-C2' 98.539 -4.161 . 0.01 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.607 " H5'" HO2' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.386 -3.314 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.478 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.092 -3.608 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.507 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.604 -3.096 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.835 -2.865 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.49 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.523 -3.177 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.099 -3.601 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.338 3.138 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.444 ' CD1' " H4'" ' B' ' 30' ' ' ' C' . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD21 ' C2 ' ' D' ' 30' ' ' ' C' . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.594 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.271 -3.429 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.594 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.409 -3.291 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.718 -2.982 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.602 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.553 1 C4'-C3'-C2' 98.309 -4.391 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.602 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.825 -2.875 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.639 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.947 3.747 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.639 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 98.85 -3.85 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.504 -3.196 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.961 -2.739 . 0.266 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.519 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 111.338 -2.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-C3' 111.069 -2.954 . 0.151 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.415 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.092 -2.939 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.444 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 98.776 -3.924 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.523 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.32 -3.38 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.523 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 98.78 -3.92 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.48 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.296 -3.404 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.795 -2.905 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.521 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.547 -3.153 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.564 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.077 -3.623 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.564 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.358 3.158 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.519 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.3 mm-40 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 145.37 47.89 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -85.28 170.36 9.45 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.671 3.581 . . . . 0.0 110.539 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.283 172.858 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.486 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.876 -2.824 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.55 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.997 -3.703 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.55 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.245 -3.455 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.405 HO2' " H5'" ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.564 -3.136 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.405 " H5'" HO2' ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.106 -3.594 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.291 -3.409 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.499 3.299 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.581 3.381 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 111.005 -2.996 . 0.79 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 100.402 -2.298 . 0.143 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.433 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 111.549 -2.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.19 -2.874 . 0.186 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.433 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.325 3.125 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.569 HO2' ' P ' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C5'-C4'-C3' 108.54 -4.64 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.569 ' P ' HO2' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 P-O3'-C3' 124.794 4.245 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.924 -2.776 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.483 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.14 -3.56 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.301 -3.399 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.501 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.641 -3.059 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.513 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.68 -3.02 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.581 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.185 -3.515 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.581 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.523 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 84.0 mm-40 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.206 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.561 HO2' " H5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.244 -3.456 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.561 " H5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.064 -3.636 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 111.198 2.998 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 C4'-C3'-C2' 98.589 -4.111 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.598 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.443 -3.257 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.598 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 111.763 3.563 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.687 3.487 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 N19-C1'-C2' 108.366 -3.147 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 N19-C1'-C2' 109.611 -2.368 . 0.15 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.487 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.244 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.095 -2.937 . 0.105 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.405 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 111.196 -2.87 . 0.059 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.013 -3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 98.862 -3.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.082 -3.618 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.519 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C4'-C3'-C2' 99.019 -3.681 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.337 -3.363 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.876 -2.824 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.484 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.76 -2.94 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.583 HO2' " H5'" ' B' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.086 -3.614 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . 0.583 " H5'" HO2' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.304 3.104 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.487 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.471 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.462 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.1 mm-40 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.59 154.07 18.77 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.54 -176.98 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.103 3.202 . . . . 0.0 112.357 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.217 -173.66 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.524 HO2' " H5'" ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 C4'-C3'-C2' 99.621 -3.079 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . 0.558 HO2' " H5'" ' D' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.496 -3.204 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . 0.558 " H5'" HO2' ' D' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.362 -3.338 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.589 -3.111 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.556 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.175 -3.525 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.394 -3.306 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.536 3.336 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.784 3.584 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 N19-C1'-C2' 108.146 -3.284 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.51 -3.19 . 0.474 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.436 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 112.113 -2.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 111.222 -2.852 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.58 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.58 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.335 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.53 ' P ' HO2' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.54 HO2' " H5'" ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.445 -3.255 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.551 HO2' " H5'" ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.149 -3.551 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.551 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.29 -3.41 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.403 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.832 -2.868 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.477 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.712 -2.988 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.477 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.141 -3.559 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.293 3.093 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD23 ' C2 ' ' D' ' 30' ' ' ' C' . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 81.5 mm-40 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.52 HO2' " H5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.52 " H5'" HO2' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.458 -3.242 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.23 -3.47 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.42 HO2' " H5'" ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.409 -3.291 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.584 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.76 -3.94 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.584 " H5'" HO2' ' B' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.709 -2.991 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.627 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.142 -3.558 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.627 " H5'" HO2' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.92 3.72 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 N19-C1'-C2' 108.516 -3.053 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 107.927 -3.42 . 0.608 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.529 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 C5'-C4'-C3' 111.075 -2.95 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.473 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.353 3.153 OUTLIER-DELTA 0.043 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 1 C5'-C4'-C3' 108.269 -4.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.473 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 P-O3'-C3' 124.518 4.015 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.506 -3.194 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.522 " H5'" HO2' ' B' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.251 -3.449 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.488 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.396 -3.304 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.488 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.76 -2.94 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.49 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.669 -3.031 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.036 -3.664 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 C4'-C3'-C2' 99.653 -3.047 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.529 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 82.1 mm-40 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 155.38 15.92 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.46 -21.61 40.15 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.688 2.925 . . . . 0.0 111.933 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 122.561 0.344 . . . . 0.0 110.127 -177.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.789 -2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.245 -3.455 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.337 -3.363 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.416 -3.284 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.571 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.847 3.647 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.571 " H5'" HO2' ' D' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.645 -3.055 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.644 3.444 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 1 C5'-C4'-C3' 109.34 -4.107 . 0.638 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 N19-C1'-C2' 109.733 -2.292 . 0.097 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.485 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.369 -3.331 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . 0.417 " H4'" " H5'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . 0.472 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 O4'-C1'-N19 111.866 3.666 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.471 HO2' ' P ' ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.351 -4.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . 0.471 ' P ' HO2' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 P-O3'-C3' 124.213 3.761 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.747 -2.953 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.192 -3.508 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.512 HO2' " H5'" ' D' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.395 -3.305 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.512 " H5'" HO2' ' D' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.857 -2.843 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.51 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.626 -3.074 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.581 HO2' " H5'" ' D' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.186 -3.514 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . 0.581 " H5'" HO2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.497 3.297 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' H21' ' D' ' 27' ' ' ' G' . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 82.4 mm-40 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.125 -3.575 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.337 -3.363 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.066 -3.634 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.195 2.995 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' C' . . . . . 0.55 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.138 -3.562 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.569 HO2' " H5'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.029 -3.671 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.569 " H5'" HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.871 3.671 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 111.474 3.274 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 109.505 -3.997 . 0.554 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.033 -2.667 . 0.057 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.421 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 112.294 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.344 -2.771 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ' A' . . . . . 0.421 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 110.823 -3.118 . 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.582 HO2' ' P ' ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C5'-C4'-C3' 109.077 -4.282 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . 0.582 ' P ' HO2' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.159 1 P-O3'-C3' 124.967 4.389 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ' A' . . . . . 0.486 HO2' " H5'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.388 -3.312 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.494 HO2' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.038 -3.662 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.304 -3.396 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.513 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.705 -2.995 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.503 HO2' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.72 -2.98 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.503 " H5'" HO2' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.808 -2.892 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.43 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.407 ' CE1' ' H21' ' B' ' 27' ' ' ' G' . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.521 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.521 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 81.5 mm-40 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 152.02 20.13 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.04 -174.71 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.748 2.965 . . . . 0.0 112.64 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.844 -174.711 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.308 -3.392 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.426 -3.274 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.023 2.823 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C4'-C3'-C2' 98.336 -4.364 . 0.829 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ' A' . . . . . 0.613 HO2' " H5'" ' D' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.457 -3.243 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' ' U' . . . . . 0.613 " H5'" HO2' ' D' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.849 3.649 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.25 -2.833 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 100.024 -2.676 . 0.149 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ' G' . . . . . 0.522 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 110.559 -3.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.289 -2.807 . 0.195 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C5'-C4'-C3' 110.855 -3.096 . 0.031 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ' C' . . . . . 0.43 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.649 3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 C4'-C3'-C2' 98.692 -4.008 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ' A' . . . . . 0.53 HO2' " H5'" ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.516 -3.184 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ' U' . . . . . 0.53 " H5'" HO2' ' D' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 98.959 -3.741 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ' G' . . . . . 0.485 " H5'" HO2' ' D' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.627 -3.073 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ' G' . . . . . 0.436 HO2' " H5'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.814 -2.886 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.517 HO2' " H5'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.602 -3.098 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.156 -3.544 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.647 -3.053 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.4 mm100 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 3' ' ' ILE . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.423 ' H ' HD23 ' C' ' 2' ' ' LEU . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.1 mm100 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.433 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' ASN . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 12' ' ' ILE . 43.2 m-80 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 24.6 mm100 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.438 ' C ' HD22 ' C' ' 4' ' ' LEU . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.438 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.487 HH11 HD11 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.407 HG22 ' N ' ' C' ' 13' ' ' ASN . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.407 ' N ' HG22 ' C' ' 12' ' ' ILE . 5.7 t30 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.6 mm100 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.436 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' C' ' 11' ' ' SER . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.418 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.476 ' HD3' HG21 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.442 ' NH1' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.439 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.442 HD12 ' NH1' ' C' ' 44' ' ' ARG . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.2 mm100 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.438 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 HD11 HH11 ' C' ' 6' ' ' ARG . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' HD13 ' C' ' 12' ' ' ILE . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.7 mm100 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.405 HH11 HD11 ' A' ' 32' ' ' ILE . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.415 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.0 mm100 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.452 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.631 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.1 mm100 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 55' ' ' LEU . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.478 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 ' N ' ' C' ' 13' ' ' ASN . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.419 ' N ' HG22 ' C' ' 12' ' ' ILE . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 2' ' ' LEU . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.515 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.41 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.6 mm100 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.443 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.451 HG13 ' HA2' ' A' ' 24' ' ' GLY . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.3 mm100 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.593 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.593 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.426 ' N ' HG22 ' C' ' 12' ' ' ILE . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.43 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.43 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.4 mm100 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.439 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.1 mm100 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.5 mm100 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 55' ' ' LEU . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.425 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.2 mm100 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.427 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.634 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 HD12 ' C' ' 2' ' ' LEU . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.424 HG13 ' HA2' ' C' ' 24' ' ' GLY . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.634 HG13 HD12 ' A' ' 2' ' ' LEU . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.497 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.497 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 25.5 mm100 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.471 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 13' ' ' ASN . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 12' ' ' ILE . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.2 mm100 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.409 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.434 HG13 HG11 ' C' ' 8' ' ' VAL . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.8 mm100 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.538 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 HG11 ' A' ' 8' ' ' VAL . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.0 mm100 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.489 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.489 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.443 HG21 ' HD3' ' C' ' 6' ' ' ARG . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 28.1 mm100 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.2 mm100 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.591 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.591 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.436 HG21 ' HD3' ' C' ' 6' ' ' ARG . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.0 mm100 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.453 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.1 mm100 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.504 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.448 HG13 HG11 ' C' ' 8' ' ' VAL . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 28.2 mm100 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.413 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' HA2' ' A' ' 24' ' ' GLY . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.402 ' O ' HD22 ' C' ' 4' ' ' LEU . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.402 HD22 ' O ' ' C' ' 3' ' ' ILE . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.539 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 2' ' ' LEU . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 24.2 mm100 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.423 HG13 ' HA2' ' A' ' 24' ' ' GLY . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 13' ' ' ASN . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 12' ' ' ILE . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.6 mm100 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.412 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.408 HG23 ' O ' ' C' ' 22' ' ' ILE . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.412 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.5 mm100 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.426 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.459 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' C' ' 47' ' ' ILE . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 28.0 mm100 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.435 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 6' ' ' ARG . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.5 mm100 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.457 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.415 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.415 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.411 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.9 mm100 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.431 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.5 mm100 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.48 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.48 ' N ' HG22 ' C' ' 12' ' ' ILE . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.481 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.481 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.9 mm100 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.582 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CZ ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 44' ' ' ARG . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.7 mm100 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.582 HG13 HD12 ' A' ' 2' ' ' LEU . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 27.3 mm100 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.437 HG13 ' HA2' ' A' ' 24' ' ' GLY . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.0 mm100 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.546 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.546 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.0 mm100 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.4 mm100 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.343 -3.357 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 99.081 -3.619 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C4'-C3'-C2' 99.3 -3.4 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.195 -3.505 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.612 -3.088 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 111.886 3.686 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 111.621 3.421 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 108.366 -3.146 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 N19-C1'-C2' 108.829 -2.857 . 0.282 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.452 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.185 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 1 O4'-C1'-N19 112.434 4.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.479 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C5'-C4'-C3' 110.658 -3.228 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.447 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C5'-C4'-C3' 108.131 -4.913 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . 0.479 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 P-O3'-C3' 124.441 3.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.292 -3.408 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.179 -3.521 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.415 -3.285 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.88 -2.82 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.874 -2.826 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 98.903 -3.797 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.654 -3.046 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 3' ' ' ILE . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.423 ' H ' HD23 ' C' ' 2' ' ' LEU . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.447 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.1 mm100 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.433 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.53 152.38 12.42 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.12 166.19 30.17 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.915 3.077 . . . . 0.0 110.978 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.532 0.285 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.403 175.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.771 -2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.446 -3.254 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.335 -3.365 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.663 -3.037 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 98.794 -3.906 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.554 -3.146 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.79 3.59 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.278 -3.422 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 N19-C1'-C2' 108.189 -3.257 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 N19-C1'-C2' 109.894 -2.191 . 0.156 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.405 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C5'-C4'-C3' 111.516 -2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 110.915 -3.057 . 0.13 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.405 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.574 3.374 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 98.741 -3.959 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.414 -3.286 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.983 -3.717 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.393 -3.307 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.787 -2.913 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.613 -3.087 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.919 -3.781 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.206 3.006 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' ASN . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 12' ' ' ILE . 43.2 m-80 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.43 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 24.6 mm100 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.348 -3.352 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.401 -3.299 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.599 -3.101 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.13 -3.57 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.427 -3.273 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.149 -3.551 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 98.841 -3.859 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 108.901 -2.812 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.438 3.238 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.431 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.466 -2.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.489 -2.674 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.431 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C5'-C4'-C3' 110.518 -3.321 . 0.035 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 109.854 -3.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.828 -2.872 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.068 -3.632 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.773 -2.927 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.722 -2.978 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.076 -3.624 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.243 3.043 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.438 ' C ' HD22 ' C' ' 4' ' ' LEU . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.438 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.487 HH11 HD11 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.407 HG22 ' N ' ' C' ' 13' ' ' ASN . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.407 ' N ' HG22 ' C' ' 12' ' ' ILE . 5.7 t30 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.403 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.6 mm100 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.436 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.95 152.07 14.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.62 -176.94 1.32 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.999 3.133 . . . . 0.0 112.596 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.615 -174.279 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.836 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.274 -3.426 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.538 -3.162 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.528 -3.172 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.06 -3.64 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.261 -3.439 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.761 3.561 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 111.601 3.401 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.117 -2.583 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.912 0 O4'-C1'-N19 110.815 2.615 . 0.171 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.489 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 110.239 -3.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C5'-C4'-C3' 111.219 -2.854 . 0.101 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 110.911 2.711 OUTLIER-DELTA 0.023 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.425 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.295 3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.419 -3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.326 -3.374 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.901 -3.799 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.312 -3.388 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.883 -2.817 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.723 -2.977 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C4'-C3'-C2' 99.221 -3.479 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.492 3.292 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' C' ' 11' ' ' SER . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.721 -2.979 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.324 -3.376 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.463 -3.237 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 O4'-C1'-N19 111.34 3.14 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 98.978 -3.722 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.698 -3.002 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O4'-C1'-N19 111.892 3.692 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.451 3.251 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 109.818 -3.788 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.712 -2.988 . 0.123 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.47 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.396 -2.736 . 0.179 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.434 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 111.314 -2.791 OUTLIER-DELTA 0.02 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.419 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.972 -3.728 . 0.021 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.609 -3.091 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C4'-C3'-C2' 99.266 -3.434 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.141 -3.559 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.548 -3.152 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 99.586 -3.114 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.05 -3.65 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.531 -3.169 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.418 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.476 ' HD3' HG21 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.47 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.442 ' NH1' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.439 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.442 HD12 ' NH1' ' C' ' 44' ' ' ARG . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.2 mm100 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.438 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 156.91 14.01 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.05 -169.35 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 124.396 3.397 . . . . 0.0 111.643 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 123.299 0.64 . . . . 0.0 111.859 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.692 -3.008 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.431 -3.269 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.628 -3.072 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 111.027 2.827 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 C4'-C3'-C2' 98.553 -4.147 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.608 -3.092 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.271 -3.429 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 112.182 3.982 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 N19-C1'-C2' 107.885 -3.447 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 N19-C1'-C2' 108.87 -2.831 . 0.363 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.491 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.726 -3.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . 0.404 ' H8 ' HO2' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C5'-C4'-C3' 111.133 -2.911 . 0.128 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 110.482 -3.345 . 0.043 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.499 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.602 -5.265 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 P-O3'-C3' 124.345 3.871 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.099 -3.601 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.967 -3.733 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.478 -3.222 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.13 -2.57 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.703 -2.997 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.046 -3.654 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.157 2.957 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 HD11 HH11 ' C' ' 6' ' ' ARG . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' HD13 ' C' ' 12' ' ' ILE . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.7 mm100 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.805 -2.895 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.252 -3.448 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.085 -3.615 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 O4'-C1'-N19 111.273 3.073 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.87 -3.83 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.081 -3.619 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 111.909 3.709 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.287 3.087 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 N19-C1'-C2' 108.38 -3.137 . 0.714 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.904 -2.796 . 0.225 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.434 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C5'-C4'-C3' 110.668 -3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.708 -2.528 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.527 -3.315 . 0.053 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.503 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C5'-C4'-C3' 107.805 -5.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 P-O3'-C3' 124.459 3.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 99.49 -3.21 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 98.839 -3.861 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.215 -3.485 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.835 -2.865 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.775 -2.925 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 98.975 -3.725 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.248 3.048 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.405 HH11 HD11 ' A' ' 32' ' ' ILE . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.503 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.434 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.415 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.0 mm100 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.452 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' C' ' 58' ' ' PRO . . . -53.25 142.3 38.63 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 57' ' ' ALA . 78.0 Cg_exo -50.65 -20.89 7.08 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.47 3.447 . . . . 0.0 114.359 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 122.439 0.296 . . . . 0.0 110.481 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.104 -3.596 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.28 -3.42 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.254 -3.446 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.218 3.018 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.215 -3.485 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.88 -3.82 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 O4'-C1'-N19 111.49 3.29 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.243 3.043 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C5'-C4'-C3' 109.391 -4.073 . 0.49 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.069 -2.631 . 0.041 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.445 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 110.809 -3.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 113.052 4.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.53 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.418 3.218 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.775 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.53 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.521 -3.179 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.24 -3.46 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.34 -3.36 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.452 -3.248 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.84 -2.86 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.037 -3.663 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.164 2.964 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.1 mm100 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 55' ' ' LEU . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.342 -3.358 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.365 -3.335 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.4 -3.3 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.479 3.279 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.977 -3.723 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 98.996 -3.704 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C4'-C3'-C2' 99.287 -3.413 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.042 -3.658 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 O4'-C1'-N19 111.325 3.125 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.072 -2.628 . 0.185 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 112.164 -2.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.522 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 110.972 -3.019 . 0.018 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.398 3.198 . 0.124 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-C3' 110.166 -3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 C4'-C3'-C2' 98.426 -4.274 . 0.04 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.123 -3.577 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.067 -3.633 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C4'-C3'-C2' 99.342 -3.358 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.589 -3.111 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.736 -2.964 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.14 -3.56 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.719 -2.981 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.478 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 ' N ' ' C' ' 13' ' ' ASN . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.419 ' N ' HG22 ' C' ' 12' ' ' ILE . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 2' ' ' LEU . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.515 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.41 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.6 mm100 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.443 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.35 153.41 9.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.49 -176.84 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 124.019 3.146 . . . . 0.0 112.574 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.025 -173.851 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.715 -2.985 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.405 -3.295 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.953 -3.747 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.557 -3.143 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.356 -3.344 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.585 -3.115 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 C4'-C3'-C2' 99.448 -3.252 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.874 3.674 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 108.495 -3.066 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 99.803 -2.897 . 0.392 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.431 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.926 -3.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 110.869 -3.087 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.442 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.218 3.018 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 111.462 -2.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.442 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.374 -3.326 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.232 -3.468 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.506 -3.194 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.132 2.932 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.736 -2.964 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.304 -3.396 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.992 2.792 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG13 ' HA2' ' A' ' 24' ' ' GLY . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.3 mm100 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.66 -3.04 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C4'-C3'-C2' 99.397 -3.303 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.338 -3.362 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.632 -3.068 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.113 -3.587 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.551 -3.149 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.902 -3.798 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.806 3.606 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 N19-C1'-C2' 108.29 -3.194 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 N19-C1'-C2' 108.916 -2.803 . 0.251 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.464 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-C3' 112.232 -2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.109 2.909 . 0.041 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.173 2.973 OUTLIER-DELTA 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 N19-C1'-C2' 109.078 -2.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.273 -3.427 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.092 -3.608 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.379 -3.321 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.656 -3.044 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.99 -2.71 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.152 -3.548 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.551 -3.149 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.593 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.593 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.426 ' N ' HG22 ' C' ' 12' ' ' ILE . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.43 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.43 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.407 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.464 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.4 mm100 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.439 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.6 155.84 13.36 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.26 -168.5 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 124.486 3.457 . . . . 0.0 111.159 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.124 -176.786 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 100.033 -2.667 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.307 -3.393 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.03 -3.67 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.538 -3.162 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.258 -3.442 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.5 -3.2 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.736 3.536 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.795 3.595 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 N19-C1'-C2' 108.492 -3.068 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.981 3.781 . 0.362 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.406 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 111.397 -2.736 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.268 -2.821 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.406 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.96 -3.027 OUTLIER-DELTA 0.029 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.65 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.803 -2.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.356 -3.344 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.112 -3.588 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.252 -3.448 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.867 -2.833 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.784 -2.916 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.112 -3.588 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.293 3.093 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.407 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.846 -2.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.509 -3.191 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.315 -3.385 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 O4'-C1'-N19 111.122 2.922 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.422 -4.278 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 99.849 -2.851 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.914 3.714 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.818 3.618 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.468 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 N19-C1'-C2' 108.47 -3.081 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 N19-C1'-C2' 109.092 -2.692 . 0.2 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.45 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 111.055 -2.963 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.435 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 110.698 -3.202 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.808 3.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C4'-C3'-C2' 98.66 -4.04 . 0.011 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.457 -3.243 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.058 -3.642 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.241 -3.459 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.035 -2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.547 -3.153 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.211 -3.489 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.733 -2.967 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 55.9 m-70 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.468 HH22 " H3'" ' B' ' 25' ' ' ' A' . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.1 mm100 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 150.04 40.73 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.06 165.27 28.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 124.005 3.136 . . . . 0.0 110.628 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.827 177.568 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.418 -3.282 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.506 -3.194 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.589 -3.111 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.364 -3.336 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.552 -3.148 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 111.765 3.565 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.817 3.617 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 N19-C1'-C2' 107.938 -3.414 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.627 -3.073 . 0.484 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.46 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.978 -2.348 . 0.066 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.468 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.501 3.301 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 110.024 -3.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.468 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.842 -2.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.583 -3.117 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.004 -3.696 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.387 -3.313 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.469 -3.231 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 C4'-C3'-C2' 99.849 -2.851 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.258 -3.442 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C4'-C3'-C2' 99.81 -2.89 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.5 mm100 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 55' ' ' LEU . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.329 -3.371 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.162 -3.538 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.584 -3.116 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.045 -3.655 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.145 -3.555 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.253 -3.447 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.196 -3.504 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.475 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.375 -3.325 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 N19-C1'-C2' 109.954 -2.154 . 0.091 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.481 ' N3 ' " H2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.046 -2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.236 -2.843 . 0.262 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.727 " H2'" H5'' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.727 H5'' " H2'" ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.709 3.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . 0.431 ' C6 ' ' C2 ' ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.545 1 P-O3'-C3' 124.84 4.283 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 1 C4'-C3'-C2' 98.662 -4.038 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 98.813 -3.887 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.651 -3.049 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.669 -3.031 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.189 -3.511 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.309 3.109 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.425 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.45 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.455 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.475 HH22 " H3'" ' B' ' 25' ' ' ' A' . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.2 mm100 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.427 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.14 152.47 10.98 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.18 -176.33 1.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 124.092 3.195 . . . . 0.0 112.48 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.636 -175.273 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.554 -3.146 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.432 -3.268 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.205 -3.495 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.391 -3.309 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.16 -3.54 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C4'-C3'-C2' 99.379 -3.321 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.707 3.507 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.874 3.674 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 N19-C1'-C2' 108.41 -3.118 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 110.702 2.502 . 0.249 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.43 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.01 -2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C5'-C4'-C3' 111.424 -2.717 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.428 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.079 -2.948 OUTLIER-DELTA 0.045 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 109.569 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.623 -3.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.205 -3.495 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.989 -3.711 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.546 -3.154 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.901 -2.799 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.581 -3.119 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.229 -3.471 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.572 -3.128 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.634 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 HD12 ' C' ' 2' ' ' LEU . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.54 HH22 " H3'" ' D' ' 25' ' ' ' A' . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.276 -3.424 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.339 -3.361 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.401 -3.299 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.001 -3.699 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.986 -2.714 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.051 -3.649 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 112.12 3.92 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.408 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.481 -3.219 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C5'-C4'-C3' 110.897 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.415 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.857 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.545 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 110.283 -3.478 . 0.011 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.415 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 110.714 -3.191 . 0.05 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.119 -3.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.554 -3.146 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.127 -3.573 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.352 -3.348 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.069 2.869 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.8 -2.9 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.048 -3.652 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.354 3.154 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.432 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.424 HG13 ' HA2' ' C' ' 24' ' ' GLY . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.634 HG13 HD12 ' A' ' 2' ' ' LEU . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CG ' ' H22' ' B' ' 27' ' ' ' G' . 48.9 m-70 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.408 HH22 " H3'" ' B' ' 25' ' ' ' A' . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.497 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.497 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 25.5 mm100 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.471 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.39 152.77 52.63 Favored Pre-proline 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.33 164.75 33.4 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.678 2.919 . . . . 0.0 111.542 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.577 178.781 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.807 -2.893 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.163 -3.537 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.452 -3.248 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.072 2.872 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 98.872 -3.828 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.561 -3.139 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 98.93 -3.77 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . 0.54 " H3'" HH22 ' A' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.383 -3.317 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.237 -2.463 . 0.044 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . 0.495 ' N1 ' HG12 ' A' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 111.25 -2.833 . 0.17 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.473 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.652 3.452 OUTLIER-DELTA 0.012 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.432 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 C4'-C3'-C2' 98.518 -4.182 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.915 -3.785 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.231 -3.469 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.601 -3.099 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.719 -2.981 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.14 -3.56 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.458 3.258 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 13' ' ' ASN . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 12' ' ' ILE . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.2 mm100 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.316 -3.384 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.465 -3.235 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 98.997 -3.703 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.781 -2.919 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.285 -3.415 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.603 3.403 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 C5'-C4'-C3' 109.38 -4.08 . 0.401 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 99.703 -2.997 . 0.108 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.482 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.817 -2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.79 4.59 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.482 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.893 3.693 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 111.509 3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . 0.482 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.859 -2.841 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.55 -3.15 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.181 -3.519 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.406 -3.294 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.635 -3.065 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.847 -2.853 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.571 -3.129 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.409 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.434 HG13 HG11 ' C' ' 8' ' ' VAL . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.8 mm100 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.21 155.41 17.62 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.7 164.35 35.99 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.21 3.273 . . . . 0.0 110.827 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.626 179.727 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.697 -3.003 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.39 -3.31 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.452 -3.248 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.351 3.151 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C4'-C3'-C2' 98.345 -4.355 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.372 -3.328 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.694 3.494 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 N19-C1'-C2' 107.245 -3.847 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 100.758 -1.942 . 0.167 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.468 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-C3' 111.061 -2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . 0.418 ' H8 ' HO2' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.327 -2.782 . 0.078 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.751 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.737 3.537 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.751 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.745 3.545 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 P-O3'-C3' 125.218 4.598 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.148 -3.552 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 C4'-C3'-C2' 98.699 -4.001 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.228 -3.472 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.727 -2.973 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.765 -2.935 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.228 -3.472 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.371 3.171 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 " H1'" ' D' ' 30' ' ' ' C' . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 HG11 ' A' ' 8' ' ' VAL . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.0 mm100 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.716 -2.984 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.365 -3.335 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.33 -3.37 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.171 2.971 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C4'-C3'-C2' 98.436 -4.264 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.523 -3.177 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.803 3.603 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.72 -3.98 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.448 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 N19-C1'-C2' 108.431 -3.106 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 100.289 -2.411 . 0.104 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.448 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.397 -2.735 . 0.104 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.431 ' C8 ' HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 111.017 -2.989 OUTLIER-DELTA 0.033 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.81 3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.92 -3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.27 -3.43 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 98.903 -3.797 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.321 -3.379 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.649 -3.051 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.814 -2.886 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.167 -3.533 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.665 -3.035 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.489 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.489 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.443 HG21 ' HD3' ' C' ' 6' ' ' ARG . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 28.1 mm100 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.86 156.01 13.85 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.95 -168.14 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.092 3.194 . . . . 0.0 111.592 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 124.154 0.982 . . . . 0.0 109.207 -175.133 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.592 -3.108 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.22 -3.48 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.078 -3.622 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.564 -3.136 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C4'-C3'-C2' 98.569 -4.131 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 98.966 -3.734 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.651 3.451 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 O4'-C1'-N19 112.072 3.872 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . 0.475 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.143 2.943 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 N19-C1'-C2' 109.178 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.807 -2.462 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.456 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-C3' 110.369 -3.421 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.507 " H1'" HD13 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C5'-C4'-C3' 109.138 -4.241 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 P-O3'-C3' 124.513 4.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C4'-C3'-C2' 99.343 -3.357 . 0.554 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 98.912 -3.788 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.58 -3.12 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.665 -3.035 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.807 -2.893 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.226 -3.474 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.754 -2.946 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.2 mm100 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.365 -3.335 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.242 -3.458 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.118 2.918 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.888 -3.812 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 98.923 -3.777 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 99.462 -3.238 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 99.366 -3.334 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.057 -3.643 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 100.016 -2.684 . 0.549 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.453 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 1 O4'-C1'-N19 112.716 4.516 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.429 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.479 3.279 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.432 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 C5'-C4'-C3' 108.184 -4.878 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 124.509 4.008 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.045 -3.655 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 C4'-C3'-C2' 98.684 -4.016 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.468 -3.232 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.966 -2.734 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.676 -3.024 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.11 -3.59 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.237 3.037 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.591 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.591 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.436 HG21 ' HD3' ' C' ' 6' ' ' ARG . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.453 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.0 mm100 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.453 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 146.43 45.6 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 167.06 20.59 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.097 3.198 . . . . 0.0 111.35 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.821 176.619 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.65 -3.05 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.366 -3.334 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.518 -3.182 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.354 -3.346 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.899 -3.801 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 110.728 2.528 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.256 -3.444 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 112.104 3.904 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 N19-C1'-C2' 108.667 -2.958 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 110.866 2.666 . 0.183 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 110.846 -3.102 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.479 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C5'-C4'-C3' 110.309 -3.461 . 0.044 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.479 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.715 -2.985 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.025 -3.675 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.292 -3.408 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.635 -3.065 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.652 -3.048 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.221 -3.479 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.418 -3.282 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.1 mm100 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 99.118 -3.582 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 111.236 3.036 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.865 -3.835 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 98.916 -3.784 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.747 3.547 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 O4'-C1'-N19 111.52 3.32 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.437 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C4'-C3'-C2' 99.254 -3.446 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.851 -2.849 . 0.301 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.502 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 111.187 -2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 111.725 -2.516 . 0.176 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.426 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.836 -3.109 OUTLIER-DELTA 0.025 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.493 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 C5'-C4'-C3' 108.489 -4.674 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 P-O3'-C3' 124.494 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.175 -3.525 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.827 -3.873 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.4 -3.3 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.968 -2.732 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.634 -3.066 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.873 -3.827 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.211 3.011 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.414 HD13 ' C8 ' ' D' ' 29' ' ' ' A' . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.493 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.504 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.448 HG13 HG11 ' C' ' 8' ' ' VAL . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.502 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 28.2 mm100 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.413 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 154.9 27.45 Favored Pre-proline 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.55 -164.25 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 124.255 3.303 . . . . 0.0 111.106 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.102 0.961 . . . . 0.0 109.306 -174.643 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.762 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.35 -3.35 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.149 -3.551 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.414 3.214 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.717 -3.983 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.117 -3.583 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.759 3.559 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.673 3.473 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 108.009 -3.37 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.748 -2.952 . 0.526 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.443 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C5'-C4'-C3' 110.963 -3.025 . 0.16 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.428 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.692 3.492 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.401 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.545 3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 98.735 -3.965 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.258 -3.442 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C4'-C3'-C2' 99.01 -3.69 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.547 -3.153 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.562 -3.138 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C4'-C3'-C2' 99.447 -3.253 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.336 -3.364 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.458 -3.242 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' HA2' ' A' ' 24' ' ' GLY . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.516 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.335 -3.365 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.385 -3.315 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.242 -3.458 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.179 2.979 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 C4'-C3'-C2' 98.601 -4.099 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.45 -3.25 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 111.741 3.541 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.224 4.024 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.48 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 N19-C1'-C2' 108.814 -2.866 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C4'-C3'-C2' 100.177 -2.523 . 0.16 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.48 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.365 -2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.533 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.033 -2.978 . 0.083 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.41 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.518 3.318 OUTLIER-DELTA 0.021 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.588 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C4'-C3'-C2' 98.895 -3.805 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.439 -3.261 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.242 -3.458 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.758 -2.942 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.539 -3.161 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.343 -3.357 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.68 -3.02 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.402 ' O ' HD22 ' C' ' 4' ' ' LEU . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.402 HD22 ' O ' ' C' ' 3' ' ' ILE . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.539 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 2' ' ' LEU . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.407 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 24.2 mm100 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.86 151.4 64.18 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.92 166.59 24.89 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.274 3.316 . . . . 0.0 110.605 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.239 176.222 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.847 -2.853 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.374 -3.326 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.333 3.133 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 C4'-C3'-C2' 98.696 -4.004 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.768 -2.932 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.547 3.347 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.652 3.452 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.008 -3.661 . 0.839 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.681 -3.019 . 0.313 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.435 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.92 -3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 110.898 -3.068 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.435 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.571 3.371 OUTLIER-DELTA 0.015 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.516 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 109.354 -4.097 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.416 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.152 2 P-O3'-C3' 124.751 4.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.868 -2.832 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.052 -3.648 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.344 -3.356 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.731 -2.969 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.893 -2.807 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.101 -3.599 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.184 2.984 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.423 HG13 ' HA2' ' A' ' 24' ' ' GLY . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 13' ' ' ASN . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 12' ' ' ILE . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.6 mm100 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.674 -3.026 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.546 -3.154 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.133 -3.567 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.669 -3.031 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.637 -4.063 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.339 -3.361 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.737 3.537 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 O4'-C1'-N19 111.591 3.391 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.528 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 108.344 -3.16 . 0.534 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 N19-C1'-C2' 109.067 -2.708 . 0.072 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.419 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 110.722 -3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-C3' 111.15 -2.9 . 0.099 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.419 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 110.579 -3.281 . 0.042 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.519 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.17 -4.887 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 P-O3'-C3' 124.289 3.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.24 -3.46 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 98.853 -3.847 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.464 -3.236 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.866 -2.834 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.018 2.818 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 98.946 -3.754 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.223 3.023 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.447 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.412 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.408 HG23 ' O ' ' C' ' 22' ' ' ILE . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.519 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.412 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.4 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.528 HH22 " H3'" ' B' ' 25' ' ' ' A' . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.5 mm100 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.426 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.33 154.86 10.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.85 -176.16 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.793 2.996 . . . . 0.0 112.537 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t0 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 124.12 0.968 . . . . 0.0 109.83 -173.075 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.456 -3.244 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.227 -3.473 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.797 -2.903 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.707 -3.993 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.641 -3.059 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.071 -3.629 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.958 -3.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . 0.412 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.253 3.053 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.208 0 N19-C1'-C2' 109.576 -2.39 . 0.142 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.416 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.674 -2.55 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 110.951 -3.033 . 0.138 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.416 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 111.231 3.031 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.447 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.813 -3.887 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.392 -3.308 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.94 -3.76 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.331 -3.369 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 100.025 -2.675 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.689 -3.011 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.323 -3.377 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.229 3.029 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.459 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.615 -3.085 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.391 -3.309 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.169 2.969 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 1 C4'-C3'-C2' 98.275 -4.425 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.375 -3.325 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.819 3.619 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.444 3.244 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 110.637 -3.242 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.0 -2.7 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.449 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.564 -2.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 111.427 -2.716 . 0.072 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.449 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.443 -3.371 . 0.04 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.5 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 C5'-C4'-C3' 109.343 -4.105 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.505 4.004 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.372 -3.328 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 98.81 -3.89 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.36 -3.34 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.774 -2.926 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.795 -2.905 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.983 -3.717 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.196 2.996 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.427 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.5 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' C' ' 47' ' ' ILE . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 28.0 mm100 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.435 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 150.45 18.12 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.13 166.49 28.94 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 124.195 3.264 . . . . 0.0 111.134 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.828 175.112 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.414 -3.286 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.44 -3.26 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C4'-C3'-C2' 99.645 -3.055 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.449 -4.251 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.748 -2.952 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 111.813 3.613 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.033 -3.667 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.193 -3.507 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.72 -2.98 . 0.265 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.488 " H2'" ' N3 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.542 -2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-C3' 111.306 -2.796 . 0.205 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.405 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.427 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 O4'-C1'-N19 111.371 3.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C4'-C3'-C2' 98.539 -4.161 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.386 -3.314 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.092 -3.608 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.604 -3.096 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.835 -2.865 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.523 -3.177 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.099 -3.601 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.338 3.138 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' CD1' " H4'" ' B' ' 30' ' ' ' C' . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 6' ' ' ARG . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.41 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.5 mm100 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.271 -3.429 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.409 -3.291 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.718 -2.982 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 1 C4'-C3'-C2' 98.309 -4.391 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.825 -2.875 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.947 3.747 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 98.85 -3.85 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.504 -3.196 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.961 -2.739 . 0.266 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.436 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 111.338 -2.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-C3' 111.069 -2.954 . 0.151 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.434 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.092 -2.939 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.426 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 98.776 -3.924 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.32 -3.38 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 98.78 -3.92 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.296 -3.404 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.795 -2.905 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.547 -3.153 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.077 -3.623 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.358 3.158 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.457 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.415 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.415 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.436 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.411 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.9 mm100 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.431 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 145.37 47.89 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -85.28 170.36 9.45 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.671 3.581 . . . . 0.0 110.539 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.283 172.858 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.876 -2.824 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.997 -3.703 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.245 -3.455 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.564 -3.136 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.106 -3.594 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.291 -3.409 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.499 3.299 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.581 3.381 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 111.005 -2.996 . 0.79 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 100.402 -2.298 . 0.143 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.452 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 111.549 -2.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.19 -2.874 . 0.186 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.452 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.325 3.125 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.499 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C5'-C4'-C3' 108.54 -4.64 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . 0.439 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 P-O3'-C3' 124.794 4.245 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.924 -2.776 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.14 -3.56 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.301 -3.399 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.641 -3.059 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.68 -3.02 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.185 -3.515 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 26.5 mm100 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB1' " H2'" ' D' ' 26' ' ' ' A' . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.206 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.244 -3.456 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.064 -3.636 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 111.198 2.998 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 C4'-C3'-C2' 98.589 -4.111 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.443 -3.257 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 111.763 3.563 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.687 3.487 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.411 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 N19-C1'-C2' 108.366 -3.147 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 N19-C1'-C2' 109.611 -2.368 . 0.15 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.412 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.244 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.095 -2.937 . 0.105 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.412 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 111.196 -2.87 . 0.059 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.013 -3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 98.862 -3.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.082 -3.618 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C4'-C3'-C2' 99.019 -3.681 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.337 -3.363 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.876 -2.824 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.76 -2.94 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.086 -3.614 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.304 3.104 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.48 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.48 ' N ' HG22 ' C' ' 12' ' ' ILE . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.481 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.481 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 26.9 mm100 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.59 154.07 18.77 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.54 -176.98 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.103 3.202 . . . . 0.0 112.357 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.217 -173.66 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 C4'-C3'-C2' 99.621 -3.079 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.496 -3.204 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.362 -3.338 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.589 -3.111 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.175 -3.525 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.394 -3.306 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.536 3.336 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.784 3.584 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 N19-C1'-C2' 108.146 -3.284 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . 0.438 " H2'" ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.51 -3.19 . 0.474 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.427 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 112.113 -2.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 111.222 -2.852 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.734 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.734 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.335 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.445 -3.255 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.149 -3.551 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.29 -3.41 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.832 -2.868 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.712 -2.988 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.141 -3.559 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.293 3.093 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.582 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CZ ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 44' ' ' ARG . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 25.7 mm100 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.458 -3.242 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.23 -3.47 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.409 -3.291 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.76 -3.94 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.709 -2.991 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.142 -3.558 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.92 3.72 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 N19-C1'-C2' 108.516 -3.053 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 107.927 -3.42 . 0.608 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.446 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.534 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 C5'-C4'-C3' 111.075 -2.95 . 0.064 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.477 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.353 3.153 OUTLIER-DELTA 0.043 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 1 C5'-C4'-C3' 108.269 -4.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . 0.477 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 P-O3'-C3' 124.518 4.015 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.506 -3.194 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.251 -3.449 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.396 -3.304 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.76 -2.94 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.669 -3.031 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.036 -3.664 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 C4'-C3'-C2' 99.653 -3.047 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.582 HG13 HD12 ' A' ' 2' ' ' LEU . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.434 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 27.3 mm100 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 155.38 15.92 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.46 -21.61 40.15 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.688 2.925 . . . . 0.0 111.933 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 122.561 0.344 . . . . 0.0 110.127 -177.805 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.789 -2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.245 -3.455 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.337 -3.363 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.416 -3.284 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.847 3.647 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.645 -3.055 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.644 3.444 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 1 C5'-C4'-C3' 109.34 -4.107 . 0.638 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 N19-C1'-C2' 109.733 -2.292 . 0.097 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.451 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.369 -3.331 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . 0.438 " H4'" " H5'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . 0.451 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 O4'-C1'-N19 111.866 3.666 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.487 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.351 -4.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 P-O3'-C3' 124.213 3.761 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.747 -2.953 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.192 -3.508 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.395 -3.305 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.857 -2.843 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.626 -3.074 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.186 -3.514 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.497 3.297 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.437 HG13 ' HA2' ' A' ' 24' ' ' GLY . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.0 mm100 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 55' ' ' LEU . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.125 -3.575 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.337 -3.363 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.066 -3.634 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.195 2.995 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.138 -3.562 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.029 -3.671 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.871 3.671 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 111.474 3.274 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 109.505 -3.997 . 0.554 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.033 -2.667 . 0.057 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.403 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 112.294 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.344 -2.771 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ' A' . . . . . 0.403 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 110.823 -3.118 . 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.515 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C5'-C4'-C3' 109.077 -4.282 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 1 P-O3'-C3' 124.967 4.389 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.388 -3.312 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.038 -3.662 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.304 -3.396 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.705 -2.995 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.72 -2.98 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.808 -2.892 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.515 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.546 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.546 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 27.0 mm100 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 152.02 20.13 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.04 -174.71 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.748 2.965 . . . . 0.0 112.64 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.844 -174.711 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.308 -3.392 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.426 -3.274 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.023 2.823 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C4'-C3'-C2' 98.336 -4.364 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.457 -3.243 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.849 3.649 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.25 -2.833 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 100.024 -2.676 . 0.149 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ' G' . . . . . 0.468 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 110.559 -3.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.289 -2.807 . 0.195 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C5'-C4'-C3' 110.855 -3.096 . 0.031 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ' C' . . . . . 0.412 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.649 3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 C4'-C3'-C2' 98.692 -4.008 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.516 -3.184 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 98.959 -3.741 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.627 -3.073 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.814 -2.886 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.602 -3.098 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.156 -3.544 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.647 -3.053 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' HG22 ' A' ' 51' ' ' ILE . 83.6 mm-40 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 3' ' ' ILE . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.423 ' H ' HD23 ' C' ' 2' ' ' LEU . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.584 HG22 HE21 ' C' ' 52' ' ' GLN . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.584 HE21 HG22 ' C' ' 51' ' ' ILE . 81.5 mm-40 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.433 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' ASN . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 12' ' ' ILE . 17.0 m120 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.605 HG22 HE21 ' A' ' 52' ' ' GLN . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.605 HE21 HG22 ' A' ' 51' ' ' ILE . 72.7 mm-40 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.438 ' C ' HD22 ' C' ' 4' ' ' LEU . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.438 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.487 HH11 HD11 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.407 HG22 ' N ' ' C' ' 13' ' ' ASN . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.407 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.1 t-20 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.589 HG22 HE21 ' C' ' 52' ' ' GLN . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.589 HE21 HG22 ' C' ' 51' ' ' ILE . 79.6 mm-40 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.436 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' C' ' 11' ' ' SER . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.45 HG22 ' NE2' ' A' ' 52' ' ' GLN . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.5 mm-40 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.418 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.476 ' HD3' HG21 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.442 ' NH1' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.439 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.442 HD12 ' NH1' ' C' ' 44' ' ' ARG . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.531 HG22 HE21 ' C' ' 52' ' ' GLN . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.531 HE21 HG22 ' C' ' 51' ' ' ILE . 82.3 mm-40 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.438 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HE2' ' C' ' 7' ' ' LYS . 12.9 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 HD11 HH11 ' C' ' 6' ' ' ARG . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' HD13 ' C' ' 12' ' ' ILE . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.546 HG22 ' NE2' ' A' ' 52' ' ' GLN . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.546 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.7 mm-40 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.405 HH11 HD11 ' A' ' 32' ' ' ILE . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.404 ' HE2' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.415 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.536 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.536 HE21 HG22 ' C' ' 51' ' ' ILE . 77.3 mm-40 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.452 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.631 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.496 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.6 mm-40 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.478 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 ' N ' ' C' ' 13' ' ' ASN . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.419 ' N ' HG22 ' C' ' 12' ' ' ILE . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 2' ' ' LEU . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.515 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.41 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.478 HG22 HE21 ' C' ' 52' ' ' GLN . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.478 HE21 HG22 ' C' ' 51' ' ' ILE . 83.5 mm-40 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.443 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.451 HG13 ' HA2' ' A' ' 24' ' ' GLY . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' A' ' 51' ' ' ILE . 83.1 mm-40 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.593 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.593 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.426 ' N ' HG22 ' C' ' 12' ' ' ILE . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.43 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.43 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.586 HG22 HE21 ' C' ' 52' ' ' GLN . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.586 HE21 HG22 ' C' ' 51' ' ' ILE . 78.5 mm-40 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.439 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' NE2' ' A' ' 52' ' ' GLN . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.6 mm-40 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.599 HG22 HE21 ' C' ' 52' ' ' GLN . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.599 HE21 HG22 ' C' ' 51' ' ' ILE . 74.6 mm-40 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.503 HG22 ' NE2' ' A' ' 52' ' ' GLN . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' A' ' 51' ' ' ILE . 79.5 mm-40 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.425 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.525 HG22 HE21 ' C' ' 52' ' ' GLN . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.525 HE21 HG22 ' C' ' 51' ' ' ILE . 82.3 mm-40 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.427 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.634 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 HD12 ' C' ' 2' ' ' LEU . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.612 HG22 HE21 ' A' ' 52' ' ' GLN . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.612 HE21 HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.424 HG13 ' HA2' ' C' ' 24' ' ' GLY . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.634 HG13 HD12 ' A' ' 2' ' ' LEU . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.497 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.642 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.642 HE21 HG22 ' C' ' 51' ' ' ILE . 72.0 mm-40 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.471 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 13' ' ' ASN . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 12' ' ' ILE . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.2 mm-40 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.409 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.434 HG13 HG11 ' C' ' 8' ' ' VAL . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.0 mm-40 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.538 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 HG11 ' A' ' 8' ' ' VAL . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.8 mm-40 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.489 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.489 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.443 HG21 ' HD3' ' C' ' 6' ' ' ARG . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.48 HG22 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.48 HE21 HG22 ' C' ' 51' ' ' ILE . 83.9 mm-40 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.9 mm-40 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.591 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.591 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.436 HG21 ' HD3' ' C' ' 6' ' ' ARG . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.582 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.582 HE21 HG22 ' C' ' 51' ' ' ILE . 74.0 mm-40 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.453 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.6 mm-40 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.504 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.448 HG13 HG11 ' C' ' 8' ' ' VAL . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.457 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 85.2 mm-40 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.413 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' HA2' ' A' ' 24' ' ' GLY . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.6 mm-40 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.402 ' O ' HD22 ' C' ' 4' ' ' LEU . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.402 HD22 ' O ' ' C' ' 3' ' ' ILE . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.539 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 2' ' ' LEU . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.648 HG22 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.648 HE21 HG22 ' C' ' 51' ' ' ILE . 68.8 mm-40 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.423 HG13 ' HA2' ' A' ' 24' ' ' GLY . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 13' ' ' ASN . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 12' ' ' ILE . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.0 mm-40 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.412 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.408 HG23 ' O ' ' C' ' 22' ' ' ILE . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.412 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.532 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.532 HE21 HG22 ' C' ' 51' ' ' ILE . 83.1 mm-40 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.426 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.459 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.625 HG22 HE21 ' A' ' 52' ' ' GLN . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 51' ' ' ILE . 90.9 mm-40 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' C' ' 47' ' ' ILE . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.454 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.5 mm-40 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.435 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 6' ' ' ARG . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.468 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.5 mm-40 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.457 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.415 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.415 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.411 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.445 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.3 mm-40 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.431 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' NE2' HG22 ' A' ' 51' ' ' ILE . 84.0 mm-40 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.48 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.48 ' N ' HG22 ' C' ' 12' ' ' ILE . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.481 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.481 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.502 HG22 HE21 ' C' ' 52' ' ' GLN . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.502 HE21 HG22 ' C' ' 51' ' ' ILE . 81.1 mm-40 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.582 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CZ ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 44' ' ' ARG . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.492 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.5 mm-40 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.582 HG13 HD12 ' A' ' 2' ' ' LEU . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.531 HG22 HE21 ' C' ' 52' ' ' GLN . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.531 HE21 HG22 ' C' ' 51' ' ' ILE . 82.1 mm-40 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.437 HG13 ' HA2' ' A' ' 24' ' ' GLY . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.494 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.546 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.546 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.581 HG22 HE21 ' C' ' 52' ' ' GLN . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.581 HE21 HG22 ' C' ' 51' ' ' ILE . 81.5 mm-40 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.8 133.83 48.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.38 140.08 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 123.317 0.647 . . . . 0.0 109.653 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.9 165.92 20.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.69 1.196 . . . . 0.0 108.276 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.7 m -128.25 135.5 49.75 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.9 tpm_? -140.81 172.54 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -171.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -135.89 155.13 50.76 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 92.6 t -51.87 115.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.006 0.522 . . . . 0.0 110.087 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 11.55 23.79 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.717 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -123.81 177.35 5.78 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.85 0.825 . . . . 0.0 110.25 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -143.18 169.15 18.15 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -170.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 mm -134.44 162.96 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.931 1.693 . . . . 0.0 106.877 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -139.36 148.73 43.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.637 0.653 . . . . 0.0 111.11 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -141.79 146.9 22.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.339 0.655 . . . . 0.0 109.632 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.79 -135.65 51.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -130.42 5.52 4.78 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.7 0.8 . . . . 0.0 110.066 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.42 11.97 1.51 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.91 138.98 52.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 CA-C-N 118.942 0.792 . . . . 0.0 110.45 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -143.55 148.94 36.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -133.02 150.13 32.49 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.26 151.29 43.57 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.034 0.379 . . . . 0.0 111.287 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.3 96.93 5.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.78 -24.85 59.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.448 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.13 -173.19 40.93 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 121.609 -0.329 . . . . 0.0 112.594 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.51 162.0 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.072 0.549 . . . . 0.0 109.637 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.58 57.19 0.93 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.482 0.713 . . . . 0.0 109.129 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.97 -128.82 11.23 Favored Glycine 0 C--N 1.336 0.548 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -67.82 -11.09 57.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.856 0.328 . . . . 0.0 110.835 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.13 160.97 13.95 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.707 0.403 . . . . 0.0 109.996 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.99 146.55 21.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 C-N-CA 123.747 0.819 . . . . 0.0 110.203 -176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.32 116.93 28.19 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -137.05 156.66 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 C-N-CA 123.205 0.602 . . . . 0.0 110.302 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.74 166.03 22.66 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.59 138.16 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.17 74.29 1.59 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.182 0.991 . . . . 0.0 109.193 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.41 159.85 44.05 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.209 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.72 153.06 53.82 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.099 1.866 . . . . 0.0 108.763 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.2 -0.78 12.9 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.879 -0.513 . . . . 0.0 110.118 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.79 -12.35 60.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.266 0.627 . . . . 0.0 110.34 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.29 144.57 34.89 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 122.097 0.951 . . . . 0.0 110.406 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 145.37 51.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.567 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -147.86 114.36 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 30.8 m-70 -149.2 166.53 28.58 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.219 0.608 . . . . 0.0 110.648 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 7.7 ptm180 -67.23 153.78 42.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.216 1.006 . . . . 0.0 109.689 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -67.09 -23.57 65.86 Favored 'General case' 0 CA--C 1.528 0.109 0 O-C-N 121.968 -0.458 . . . . 0.0 111.11 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 72.9 tt0 -73.28 -9.83 59.12 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.997 0.919 . . . . 0.0 111.926 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.94 -24.68 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 CA-C-O 119.304 -0.379 . . . . 0.0 111.028 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.8 t80 -62.2 -35.73 79.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.769 1.168 . . . . 0.0 110.141 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -73.44 -14.21 61.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -93.49 -26.5 17.15 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -70.25 -51.83 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' HG22 ' A' ' 51' ' ' ILE . 83.6 mm-40 -73.89 5.51 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.955 0.502 . . . . 0.0 111.946 -176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -18.09 62.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.664 -0.207 . . . . 0.0 111.106 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.81 0.59 Allowed Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.37 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -169.44 2.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.946 0.898 . . . . 0.0 110.726 -174.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.48 174.85 10.09 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.71 0.404 . . . . 0.0 110.412 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.51 152.63 3.15 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 123.549 0.74 . . . . 0.0 111.372 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.83 1.69 1.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 125.057 3.838 . . . . 0.0 115.032 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -173.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.343 -3.357 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 99.081 -3.619 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C4'-C3'-C2' 99.3 -3.4 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.195 -3.505 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.612 -3.088 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 111.886 3.686 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 111.621 3.421 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 108.366 -3.146 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 N19-C1'-C2' 108.829 -2.857 . 0.282 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.452 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.185 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 1 O4'-C1'-N19 112.434 4.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.479 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C5'-C4'-C3' 110.658 -3.228 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.447 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C5'-C4'-C3' 108.131 -4.913 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . 0.479 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 P-O3'-C3' 124.441 3.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.292 -3.408 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.179 -3.521 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.415 -3.285 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.88 -2.82 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.874 -2.826 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 98.903 -3.797 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.654 -3.046 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 3' ' ' ILE . 0.2 OUTLIER -84.78 141.2 30.68 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.423 ' H ' HD23 ' C' ' 2' ' ' LEU . 66.3 mt -131.84 150.41 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.62 0.768 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -144.72 162.52 36.51 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -129.03 129.75 45.73 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -146.72 176.37 9.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.512 0.725 . . . . 0.0 109.045 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -125.35 165.83 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.197 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.6 116.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.251 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.58 -15.57 17.19 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.833 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.46 177.05 6.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.844 0.822 . . . . 0.0 111.114 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -143.84 168.59 19.58 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.14 0.576 . . . . 0.0 111.882 -175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -134.84 163.64 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 126.13 1.772 . . . . 0.0 107.131 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -138.97 147.86 42.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.739 -0.601 . . . . 0.0 111.079 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -140.8 146.8 23.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 123.615 0.766 . . . . 0.0 109.754 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.07 -137.41 49.28 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -130.38 6.65 4.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.282 0.633 . . . . 0.0 110.208 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.09 12.2 2.0 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.329 0.652 . . . . 0.0 111.97 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.5 mt -131.43 137.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.805 0.73 . . . . 0.0 110.097 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -143.77 150.22 38.24 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -134.87 151.53 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -141.24 151.55 43.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 118.094 0.406 . . . . 0.0 110.693 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.76 91.52 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.447 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 51.8 mt -67.46 -29.01 68.36 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.802 -174.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.4 -173.64 44.89 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.098 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.35 153.75 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.83 0.852 . . . . 0.0 109.513 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.2 m -146.55 61.79 1.21 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.772 0.829 . . . . 0.0 109.332 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -130.33 11.26 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -70.26 -8.79 53.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.368 -0.49 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.3 160.55 14.22 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.147 0.498 . . . . 0.0 109.996 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -144.82 148.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 123.971 0.908 . . . . 0.0 109.786 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 117.85 26.95 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.126 0.97 . . . . 0.0 108.423 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -134.4 156.28 40.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 122.951 0.501 . . . . 0.0 110.822 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.15 18.64 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.131 -1.187 . . . . 0.0 110.131 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -138.26 139.42 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -133.01 74.08 1.55 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 122.105 0.955 . . . . 0.0 109.047 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.47 46.35 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.163 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.7 152.74 48.15 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.352 2.035 . . . . 0.0 108.938 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -70.34 -2.75 14.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.19 -13.31 61.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.563 0.745 . . . . 0.0 110.514 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.04 144.81 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.68 0.753 . . . . 0.0 110.51 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 147.83 49.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.885 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -146.66 115.85 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -151.87 161.7 42.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.139 0.495 . . . . 0.0 111.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -66.7 159.84 26.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.016 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -69.29 -23.27 63.8 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.224 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -72.99 -10.2 59.55 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.466 0.706 . . . . 0.0 111.845 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.05 -23.18 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 O-C-N 121.717 -0.614 . . . . 0.0 111.081 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -63.15 -34.95 78.74 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.921 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -74.98 -14.13 60.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.444 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -93.86 -28.48 15.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.584 HG22 HE21 ' C' ' 52' ' ' GLN . 92.1 mt -69.1 -48.29 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.584 HE21 HG22 ' C' ' 51' ' ' ILE . 81.5 mm-40 -75.37 5.46 5.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.524 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.66 -16.78 61.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.673 -0.203 . . . . 0.0 111.305 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.49 18.8 1.41 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.433 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.16 -172.84 3.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.54 0.736 . . . . 0.0 110.939 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p -140.12 175.32 9.69 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.541 0.336 . . . . 0.0 110.172 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.53 152.38 12.42 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.378 0.671 . . . . 0.0 111.994 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.12 166.19 30.17 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.915 3.077 . . . . 0.0 110.978 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.532 0.285 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.403 175.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.771 -2.929 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.446 -3.254 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.335 -3.365 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.663 -3.037 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 98.794 -3.906 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.554 -3.146 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.79 3.59 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.278 -3.422 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 N19-C1'-C2' 108.189 -3.257 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 N19-C1'-C2' 109.894 -2.191 . 0.156 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.405 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C5'-C4'-C3' 111.516 -2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 110.915 -3.057 . 0.13 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.405 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.574 3.374 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 98.741 -3.959 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.414 -3.286 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.983 -3.717 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.393 -3.307 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.787 -2.913 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.613 -3.087 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.919 -3.781 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.206 3.006 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 134.67 34.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -118.99 145.02 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -144.03 168.16 20.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.6 m -128.16 141.65 51.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -139.86 174.34 10.62 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -174.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -138.51 155.52 48.34 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.3 t -51.74 114.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.17 17.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.882 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -120.55 175.46 5.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.119 0.959 . . . . 0.0 110.765 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -143.47 171.87 13.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.35 0.595 . . . . 0.0 112.569 -171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' ASN . 33.0 mm -141.9 165.78 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.585 1.954 . . . . 0.0 106.728 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 12' ' ' ILE . 17.0 m120 -138.0 149.81 46.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.967 -0.458 . . . . 0.0 111.508 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.68 149.08 19.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.303 1.041 . . . . 0.0 109.841 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.21 48.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.34 5.49 4.81 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.838 0.855 . . . . 0.0 110.267 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -145.87 14.06 1.34 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.341 0.656 . . . . 0.0 111.823 -175.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -129.95 140.63 48.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.966 0.803 . . . . 0.0 110.862 -177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 m -144.53 146.09 32.19 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.24 150.66 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -141.4 152.3 44.2 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.946 0.339 . . . . 0.0 110.504 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -107.95 101.22 12.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 50.4 mt -77.98 -24.29 48.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.323 -171.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.67 -177.05 42.77 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-O 121.304 0.391 . . . . 0.0 112.584 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.4 156.1 35.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.0 m -144.6 57.42 1.3 Allowed 'General case' 0 C--O 1.232 0.137 0 C-N-CA 124.159 0.983 . . . . 0.0 108.976 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -124.54 15.37 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.93 -8.05 45.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.984 0.392 . . . . 0.0 110.788 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -103.74 165.34 11.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 121.22 0.533 . . . . 0.0 110.381 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.5 t -148.69 151.7 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.51 1.124 . . . . 0.0 109.094 -174.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -129.3 132.31 47.13 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.61 0.719 . . . . 0.0 109.342 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 HH11 ' C' ' 6' ' ' ARG . 11.4 pt -136.37 156.78 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.641 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.24 160.47 14.84 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -137.21 130.37 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.47 74.01 1.03 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.963 0.905 . . . . 0.0 109.268 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.8 155.56 69.84 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.4 154.0 35.69 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.148 1.899 . . . . 0.0 109.115 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.53 -0.55 8.73 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.23 -11.86 61.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.025 0.53 . . . . 0.0 109.872 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.19 144.19 38.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.787 0.803 . . . . 0.0 110.097 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.13 143.82 45.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.761 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -143.04 114.07 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.43 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 81.6 m-70 -151.73 159.15 44.07 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.022 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.7 158.4 34.28 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.648 0.379 . . . . 0.0 110.082 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.28 -23.3 64.74 Favored 'General case' 0 C--O 1.231 0.124 0 O-C-N 122.159 -0.338 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.49 -11.46 60.88 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.365 0.666 . . . . 0.0 111.692 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.89 -26.58 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 118.473 0.579 . . . . 0.0 111.173 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.4 t80 -63.97 -36.31 83.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.046 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.97 -13.04 60.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -93.55 -29.63 15.4 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.605 HG22 HE21 ' A' ' 52' ' ' GLN . 97.2 mt -67.7 -50.13 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.605 HE21 HG22 ' A' ' 51' ' ' ILE . 72.7 mm-40 -75.18 5.82 5.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.926 0.49 . . . . 0.0 112.163 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.5 -17.79 62.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.433 -0.167 . . . . 0.0 111.013 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.01 15.19 1.05 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.182 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.4 pp -138.48 -169.54 2.62 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.896 0.878 . . . . 0.0 110.855 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -140.75 170.37 15.89 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.179 0.592 . . . . 0.0 109.518 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.71 152.06 10.31 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.048 0.539 . . . . 0.0 111.034 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.79 -31.94 15.13 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.841 2.361 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.348 -3.352 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.401 -3.299 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.599 -3.101 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.13 -3.57 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.427 -3.273 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.149 -3.551 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 98.841 -3.859 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 108.901 -2.812 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.438 3.238 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.431 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.466 -2.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.489 -2.674 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.431 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C5'-C4'-C3' 110.518 -3.321 . 0.035 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 109.854 -3.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.828 -2.872 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.068 -3.632 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.773 -2.927 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.722 -2.978 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.076 -3.624 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.243 3.043 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.0 138.42 44.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.438 ' C ' HD22 ' C' ' 4' ' ' LEU . 50.6 mt -126.89 142.55 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.27 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.438 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.5 mm? -125.37 163.44 22.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -127.4 100.93 6.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.487 HH11 HD11 ' A' ' 32' ' ' ILE . 44.9 mmm-85 -95.48 168.14 10.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.705 -171.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 154.08 50.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.59 126.96 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.759 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.06 -15.37 59.32 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.764 0.697 . . . . 0.0 112.411 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -74.53 163.57 27.6 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.029 0.914 . . . . 0.0 110.927 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.21 159.37 42.34 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.39 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.407 HG22 ' N ' ' C' ' 13' ' ' ASN . 37.1 mm -136.45 164.65 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 124.999 1.32 . . . . 0.0 107.549 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.407 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.1 t-20 -135.54 150.9 49.86 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.602 0.361 . . . . 0.0 111.128 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -140.74 147.32 23.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.77 -136.55 47.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 6.8 4.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.272 0.629 . . . . 0.0 110.108 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.96 13.9 2.07 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.263 0.625 . . . . 0.0 111.724 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.29 138.34 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 118.835 0.743 . . . . 0.0 110.266 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -142.32 151.69 42.21 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -133.61 149.84 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -139.84 150.88 45.2 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 122.715 0.406 . . . . 0.0 111.044 -176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.34 95.9 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.1 mt -68.18 -27.42 66.39 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.713 -174.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -170.29 38.98 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 121.44 -0.409 . . . . 0.0 113.251 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.21 159.63 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.648 0.779 . . . . 0.0 109.743 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -150.63 60.93 0.94 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.431 0.692 . . . . 0.0 109.346 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.94 -129.64 10.9 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.07 -9.28 54.88 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.068 0.434 . . . . 0.0 110.456 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -98.4 162.64 13.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.574 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.48 145.56 20.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 124.291 1.036 . . . . 0.0 109.787 -174.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.13 117.26 25.84 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.712 0.805 . . . . 0.0 108.941 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 pt -132.8 159.43 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.623 0.769 . . . . 0.0 111.017 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.24 164.47 24.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 97.6 mt -138.19 140.59 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -130.32 73.97 1.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 122.39 1.091 . . . . 0.0 108.886 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.35 158.35 53.6 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.329 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.17 154.71 32.83 Favored 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 122.603 2.202 . . . . 0.0 109.252 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -69.81 -0.15 6.68 Favored 'General case' 0 C--N 1.334 -0.072 0 O-C-N 122.026 -0.421 . . . . 0.0 111.157 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.34 -13.39 62.35 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.172 0.589 . . . . 0.0 109.701 171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.02 144.21 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-O 121.282 0.563 . . . . 0.0 109.649 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.78 143.98 47.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.175 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.403 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 77.5 t -148.9 114.57 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -148.79 167.04 26.66 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.173 0.589 . . . . 0.0 111.182 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.33 160.71 28.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 110.822 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -66.22 -41.1 90.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.8 0.44 . . . . 0.0 112.07 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -62.58 -11.94 19.76 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.75 -20.84 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.316 -171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.4 t80 -63.29 -34.0 76.74 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.079 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -76.22 -12.3 60.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.51 -28.12 16.26 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.589 HG22 HE21 ' C' ' 52' ' ' GLN . 96.8 mt -70.18 -47.24 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.589 HE21 HG22 ' C' ' 51' ' ' ILE . 79.6 mm-40 -76.73 5.37 7.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.264 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.63 61.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 122.365 -0.209 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.44 17.65 1.22 Allowed Glycine 0 C--N 1.342 0.91 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.436 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.02 -172.67 3.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 110.751 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.6 p -139.86 175.57 9.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.68 0.392 . . . . 0.0 110.703 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.95 152.07 14.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 123.211 0.604 . . . . 0.0 112.074 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.62 -176.94 1.32 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.999 3.133 . . . . 0.0 112.596 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.615 -174.279 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.836 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.274 -3.426 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.538 -3.162 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.528 -3.172 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.06 -3.64 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.261 -3.439 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O4'-C1'-N19 111.761 3.561 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 111.601 3.401 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.117 -2.583 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.912 0 O4'-C1'-N19 110.815 2.615 . 0.171 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.489 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 110.239 -3.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C5'-C4'-C3' 111.219 -2.854 . 0.101 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 110.911 2.711 OUTLIER-DELTA 0.023 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.425 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.295 3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.419 -3.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.326 -3.374 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.901 -3.799 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.312 -3.388 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.883 -2.817 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.723 -2.977 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C4'-C3'-C2' 99.221 -3.479 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.492 3.292 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 135.21 33.62 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HD3' ' C' ' 31' ' ' ARG . 2.1 mp -120.32 148.52 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 C-N-CA 123.95 0.9 . . . . 0.0 108.747 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -143.09 166.85 23.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -127.03 137.36 53.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.5 mmp_? -140.91 173.3 11.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -134.43 159.62 40.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.4 t -50.98 114.63 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.66 25.26 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.403 0.525 . . . . 0.0 112.582 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.86 176.15 8.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.023 0.911 . . . . 0.0 110.925 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -143.42 168.74 19.12 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.34 161.76 40.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 126.131 1.772 . . . . 0.0 106.911 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.42 146.87 44.91 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.694 0.679 . . . . 0.0 111.513 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 mm -137.26 143.9 33.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 124.394 1.078 . . . . 0.0 108.925 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.04 -136.6 45.58 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -131.05 7.02 4.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.344 0.657 . . . . 0.0 111.569 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -141.63 13.7 2.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.586 0.755 . . . . 0.0 111.828 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.9 mt -131.67 138.85 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 118.851 0.75 . . . . 0.0 110.258 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -143.84 153.85 42.78 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -135.27 149.88 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.8 m -141.08 152.31 44.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.094 0.406 . . . . 0.0 110.62 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.6 91.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 24.5 mt -66.56 -27.77 68.0 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.811 -173.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.73 -173.02 43.91 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.449 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.03 160.1 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.493 0.717 . . . . 0.0 109.639 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -148.66 57.32 1.04 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 -130.44 11.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.21 -11.12 60.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.233 0.517 . . . . 0.0 110.458 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.36 161.77 14.53 Favored 'General case' 0 C--N 1.34 0.173 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -143.73 149.62 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.249 0.62 . . . . 0.0 109.584 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 116.38 24.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -136.58 162.88 34.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 123.983 0.913 . . . . 0.0 109.398 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -142.44 160.9 27.35 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -124.49 142.49 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.44 75.07 1.6 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 122.164 0.983 . . . . 0.0 108.715 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.03 70.85 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.077 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.03 156.13 33.97 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.368 2.046 . . . . 0.0 109.199 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.35 -0.6 8.47 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.164 -0.335 . . . . 0.0 110.951 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -12.75 61.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.741 0.417 . . . . 0.0 110.126 171.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.08 144.13 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 121.738 0.78 . . . . 0.0 110.13 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.76 144.14 45.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.882 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -146.46 125.16 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -151.33 -178.99 6.98 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 122.727 0.411 . . . . 0.0 110.371 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 155.22 28.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.475 0.31 . . . . 0.0 111.017 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' C' ' 11' ' ' SER . 1.8 pp20? -61.05 -23.39 65.41 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -168.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.67 1.85 21.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 119.046 0.839 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.33 -25.82 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.159 0.584 . . . . 0.0 111.446 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -62.97 -31.03 72.06 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.558 1.072 . . . . 0.0 110.758 -175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.75 -12.09 60.6 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.619 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.76 -28.59 15.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 109.944 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.45 HG22 ' NE2' ' A' ' 52' ' ' GLN . 98.4 mt -69.98 -51.27 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.5 mm-40 -74.5 5.81 4.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.927 0.491 . . . . 0.0 111.609 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -17.25 61.93 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.068 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.81 14.45 0.67 Allowed Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.594 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.25 -170.93 2.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.637 0.718 . . . . 0.0 111.33 -173.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -140.38 172.83 12.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.98 0.512 . . . . 0.0 110.342 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 153.62 14.02 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 123.407 0.683 . . . . 0.0 111.76 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.03 -172.36 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 124.073 3.182 . . . . 0.0 111.53 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 C-N-CA 123.791 0.836 . . . . 0.0 111.388 -175.193 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.721 -2.979 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.324 -3.376 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.463 -3.237 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 O4'-C1'-N19 111.34 3.14 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 98.978 -3.722 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.698 -3.002 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O4'-C1'-N19 111.892 3.692 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.451 3.251 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 109.818 -3.788 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.712 -2.988 . 0.123 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.47 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C5'-C4'-C3' 111.396 -2.736 . 0.179 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.434 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 111.314 -2.791 OUTLIER-DELTA 0.02 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.419 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.972 -3.728 . 0.021 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.609 -3.091 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C4'-C3'-C2' 99.266 -3.434 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.141 -3.559 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.548 -3.152 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 99.586 -3.114 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.05 -3.65 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.531 -3.169 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 96.46 8.62 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 mp -78.38 147.31 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -144.78 167.17 23.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.971 0.908 . . . . 0.0 108.7 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -128.41 138.92 52.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -148.46 173.53 13.02 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.81 160.05 38.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.253 0.479 . . . . 0.0 110.725 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.74 114.9 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 123.681 0.793 . . . . 0.0 109.702 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.59 8.7 26.22 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.945 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -124.32 -179.72 4.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.728 0.764 . . . . 0.0 110.024 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.418 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 18.2 p -145.96 172.35 13.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -170.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -133.86 163.68 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 127.09 2.156 . . . . 0.0 106.769 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -140.35 150.59 44.14 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.845 0.748 . . . . 0.0 111.523 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -141.1 142.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 C-N-CA 123.934 0.894 . . . . 0.0 109.348 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.82 51.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -130.8 6.65 4.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.782 0.833 . . . . 0.0 109.945 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.53 8.74 2.41 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.95 142.73 42.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 CA-C-N 119.168 0.894 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -141.91 148.68 39.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -131.03 149.57 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -139.52 153.09 47.4 Favored 'General case' 0 C--O 1.227 -0.08 0 CA-C-N 118.099 0.409 . . . . 0.0 110.97 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.68 101.29 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.91 -26.3 43.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.263 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.33 -174.17 42.5 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.449 -0.405 . . . . 0.0 112.857 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -133.08 159.42 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.231 0.613 . . . . 0.0 109.778 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -148.63 60.4 1.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.912 0.885 . . . . 0.0 108.819 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.43 -131.99 13.97 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.56 -2.9 15.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.682 0.241 . . . . 0.0 111.125 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.77 162.32 14.29 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 118.442 0.565 . . . . 0.0 110.233 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -150.19 144.9 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.331 0.652 . . . . 0.0 110.542 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.476 ' HD3' HG21 ' A' ' 3' ' ' ILE . 40.3 ttm180 -117.99 130.64 56.31 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 171.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.56 156.63 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 109.659 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.4 162.45 16.18 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 81.1 mt -140.7 136.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -131.7 69.28 1.48 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.353 1.073 . . . . 0.0 109.053 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.33 42.6 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 113.86 -1.518 . . . . 0.0 107.981 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.5 154.96 35.94 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.852 2.368 . . . . 0.0 109.084 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.12 -0.76 8.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.061 -0.399 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -69.86 -12.65 61.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.009 0.523 . . . . 0.0 109.992 171.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.97 144.21 38.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.932 0.872 . . . . 0.0 110.077 172.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.21 143.66 50.38 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.99 117.15 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.47 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 72.6 m-70 -149.07 -175.72 5.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.29 1.036 . . . . 0.0 110.042 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.442 ' NH1' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -115.77 154.28 29.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.671 -0.204 . . . . 0.0 110.964 175.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -23.26 63.45 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -172.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.439 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 43.5 tt0 -65.53 -13.65 59.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.965 0.348 . . . . 0.0 110.439 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.442 HD12 ' NH1' ' C' ' 44' ' ' ARG . 1.6 mt -134.67 -27.94 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.097 0.559 . . . . 0.0 111.817 -174.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 65.6 t80 -62.89 -32.86 74.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 119.458 1.026 . . . . 0.0 109.908 -176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.52 -11.83 60.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.897 0.479 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -94.66 -31.81 13.66 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 122.784 0.434 . . . . 0.0 110.219 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.531 HG22 HE21 ' C' ' 52' ' ' GLN . 96.5 mt -66.8 -48.29 80.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.531 HE21 HG22 ' C' ' 51' ' ' ILE . 82.3 mm-40 -77.01 5.45 8.03 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.495 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -16.71 60.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 119.574 -0.25 . . . . 0.0 111.455 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.47 19.69 1.32 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.438 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.2 -172.89 3.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.714 0.806 . . . . 0.0 110.77 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -140.02 172.09 13.25 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.058 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 156.91 14.01 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.785 0.834 . . . . 0.0 112.213 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.05 -169.35 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 124.396 3.397 . . . . 0.0 111.643 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 123.299 0.64 . . . . 0.0 111.859 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.692 -3.008 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.431 -3.269 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.628 -3.072 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 O4'-C1'-N19 111.027 2.827 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 C4'-C3'-C2' 98.553 -4.147 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.608 -3.092 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.271 -3.429 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 112.182 3.982 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 N19-C1'-C2' 107.885 -3.447 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 N19-C1'-C2' 108.87 -2.831 . 0.363 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.491 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.726 -3.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . 0.404 ' H8 ' HO2' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C5'-C4'-C3' 111.133 -2.911 . 0.128 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 110.482 -3.345 . 0.043 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.499 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.602 -5.265 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 P-O3'-C3' 124.345 3.871 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.099 -3.601 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.967 -3.733 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.478 -3.222 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.13 -2.57 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.703 -2.997 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.046 -3.654 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.157 2.957 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.33 97.79 10.46 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.746 0.418 . . . . 0.0 110.234 -175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' C' ' 33' ' ' GLY . 3.2 mp -78.8 148.37 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.76 168.31 20.51 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.0 m -127.42 138.21 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 tpm_? -145.44 170.56 16.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.66 40.94 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.47 121.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 123.613 0.57 . . . . 0.0 110.836 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.66 -19.52 38.77 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.544 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -87.75 -177.96 5.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.113 0.957 . . . . 0.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -146.86 172.05 14.26 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.73 162.87 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.262 1.825 . . . . 0.0 107.16 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -141.72 148.12 38.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.641 0.655 . . . . 0.0 111.897 -174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -140.8 145.89 24.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.997 0.919 . . . . 0.0 109.569 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.62 -136.79 49.18 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -130.35 5.65 4.82 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.696 0.799 . . . . 0.0 109.945 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -143.37 10.98 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.078 0.551 . . . . 0.0 112.164 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -129.73 137.09 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 118.893 0.77 . . . . 0.0 110.195 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -145.38 151.09 37.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -134.81 149.47 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -138.51 150.64 46.6 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.77 0.259 . . . . 0.0 110.581 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.77 94.64 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.28 -27.8 67.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.643 -174.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.89 -173.13 42.81 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.888 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -140.01 155.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 123.649 0.78 . . . . 0.0 109.471 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.21 60.34 1.17 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.776 0.83 . . . . 0.0 109.364 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -129.36 11.02 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.42 0.68 6.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.724 0.41 . . . . 0.0 110.695 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HE2' ' C' ' 7' ' ' LYS . 12.9 mt-30 -114.14 163.46 15.18 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 110.641 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -144.98 155.73 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.749 0.819 . . . . 0.0 110.27 -171.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 122.32 25.31 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 HD11 HH11 ' C' ' 6' ' ' ARG . 19.9 pt -137.37 164.0 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 111.454 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.64 162.68 23.36 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 138.59 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -129.0 71.09 1.41 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.563 0.745 . . . . 0.0 109.148 -176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.83 156.82 51.49 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.65 148.28 71.73 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 121.948 1.765 . . . . 0.0 108.477 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.19 -1.12 7.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.64 -10.64 59.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.33 1.052 . . . . 0.0 111.636 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m -119.26 145.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 110.218 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 145.7 50.37 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.133 -176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -145.72 110.94 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.09 156.91 42.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.04 0.447 . . . . 0.0 110.998 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' HD13 ' C' ' 12' ' ' ILE . 19.9 ptp180 -70.19 160.72 31.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.044 0.538 . . . . 0.0 110.735 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.77 -23.72 64.34 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.832 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.3 -13.26 62.29 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.246 1.018 . . . . 0.0 111.45 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.85 -27.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 O-C-N 122.025 -0.422 . . . . 0.0 111.271 -174.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.1 t80 -62.91 -34.07 76.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.608 1.094 . . . . 0.0 110.303 -177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.53 -15.47 60.86 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -93.75 -27.13 16.67 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.546 HG22 ' NE2' ' A' ' 52' ' ' GLN . 95.2 mt -70.91 -51.95 31.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.546 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.7 mm-40 -72.84 5.48 3.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.816 0.447 . . . . 0.0 111.811 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.27 -18.11 62.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 119.641 -0.218 . . . . 0.0 110.902 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.0 16.14 0.68 Allowed Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.117 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -139.55 -171.31 3.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.543 0.671 . . . . 0.0 111.152 -173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -139.74 178.32 7.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.491 0.716 . . . . 0.0 109.66 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.6 146.93 4.63 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 122.669 0.387 . . . . 0.0 111.84 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.7 -28.77 20.35 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.723 2.949 . . . . 0.0 112.493 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 110.779 -177.18 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.805 -2.895 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.252 -3.448 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.085 -3.615 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 O4'-C1'-N19 111.273 3.073 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.87 -3.83 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.081 -3.619 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 111.909 3.709 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.287 3.087 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 N19-C1'-C2' 108.38 -3.137 . 0.714 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.904 -2.796 . 0.225 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.434 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C5'-C4'-C3' 110.668 -3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.708 -2.528 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.527 -3.315 . 0.053 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.503 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C5'-C4'-C3' 107.805 -5.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 P-O3'-C3' 124.459 3.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 99.49 -3.21 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 98.839 -3.861 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.215 -3.485 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.835 -2.865 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.775 -2.925 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 98.975 -3.725 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.248 3.048 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 129.17 43.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.81 150.37 17.79 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 123.9 0.88 . . . . 0.0 109.054 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -145.45 166.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 73.4 m -125.76 104.31 8.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.405 HH11 HD11 ' A' ' 32' ' ' ILE . 41.0 mmm-85 -95.09 170.91 9.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.813 -171.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.404 ' HE2' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -139.93 158.49 43.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 170.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.78 117.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -20.59 19.72 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.573 0.606 . . . . 0.0 112.957 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.85 167.22 21.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.081 0.94 . . . . 0.0 111.72 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -143.64 157.91 44.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -131.39 165.12 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.047 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.96 145.73 46.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.168 0.44 . . . . 0.0 110.08 -174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.59 147.82 30.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.774 0.83 . . . . 0.0 109.346 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.08 -133.66 50.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -130.49 5.17 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.241 0.617 . . . . 0.0 110.81 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -145.93 14.11 1.33 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.035 0.534 . . . . 0.0 112.247 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 92.2 mt -130.83 139.52 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 118.769 0.713 . . . . 0.0 110.472 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -143.38 154.54 43.83 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.6 149.33 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.288 0.635 . . . . 0.0 109.457 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -141.57 151.51 43.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.979 0.354 . . . . 0.0 110.729 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -109.62 99.06 7.89 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.503 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 26.6 mt -70.51 -28.41 64.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.515 -174.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.67 -167.81 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-O 121.197 0.332 . . . . 0.0 112.694 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.51 163.18 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.195 0.598 . . . . 0.0 109.849 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -148.29 55.39 1.03 Allowed 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.85 -130.99 12.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.19 -8.17 22.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.745 0.418 . . . . 0.0 110.576 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -101.35 166.14 10.91 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.197 0.523 . . . . 0.0 110.355 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -143.81 149.87 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.13 0.972 . . . . 0.0 109.454 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.22 115.92 20.49 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.698 0.799 . . . . 0.0 108.883 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 pt -137.55 161.55 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 109.885 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 3' ' ' ILE . . . -139.52 161.41 26.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.64 143.44 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -129.72 74.8 1.61 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 122.253 1.025 . . . . 0.0 109.049 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.97 159.18 66.02 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.813 1.645 . . . . 0.0 108.26 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.61 154.96 35.43 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.258 1.972 . . . . 0.0 109.283 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -69.48 -0.77 7.04 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.016 -0.427 . . . . 0.0 110.852 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -69.76 -13.09 62.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.212 0.605 . . . . 0.0 109.807 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.29 144.41 37.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.335 0.588 . . . . 0.0 109.946 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.35 143.66 51.89 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.862 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -148.59 116.68 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.434 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 23.8 m-70 -147.58 -177.44 5.71 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.125 0.97 . . . . 0.0 110.211 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 0.0 OUTLIER -109.78 155.07 22.08 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 120.552 0.215 . . . . 0.0 110.86 177.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.72 -23.82 65.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.415 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 39.8 tt0 -67.45 -13.54 62.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.81 0.444 . . . . 0.0 110.867 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -24.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.3 t80 -62.22 -31.99 72.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.352 0.978 . . . . 0.0 110.33 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.74 -11.1 60.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.44 -31.32 14.65 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.536 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.97 -48.92 72.85 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.536 HE21 HG22 ' C' ' 51' ' ' ILE . 77.3 mm-40 -76.08 5.54 6.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.578 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.83 61.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 119.592 -0.242 . . . . 0.0 110.92 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 18.05 1.42 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.853 -0.415 . . . . 0.0 112.093 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.452 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.65 -172.63 3.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.539 0.735 . . . . 0.0 111.171 -173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -141.47 175.06 9.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.2 0.6 . . . . 0.0 109.702 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' C' ' 58' ' ' PRO . . . -53.25 142.3 38.63 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 122.191 -0.318 . . . . 0.0 111.13 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 57' ' ' ALA . 78.0 Cg_exo -50.65 -20.89 7.08 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.47 3.447 . . . . 0.0 114.359 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 122.439 0.296 . . . . 0.0 110.481 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.104 -3.596 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.28 -3.42 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.254 -3.446 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.218 3.018 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.215 -3.485 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.88 -3.82 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 O4'-C1'-N19 111.49 3.29 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.243 3.043 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C5'-C4'-C3' 109.391 -4.073 . 0.49 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.069 -2.631 . 0.041 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.445 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 110.809 -3.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 113.052 4.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.53 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.418 3.218 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.775 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.53 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.517 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.521 -3.179 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.24 -3.46 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.34 -3.36 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.452 -3.248 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.84 -2.86 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.037 -3.663 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.164 2.964 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -79.19 143.08 35.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -126.66 137.38 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -136.77 162.69 32.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.3 m -128.16 140.98 51.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -142.25 172.58 12.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.45 -175.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 159.01 33.17 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 172.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 90.6 t -51.12 114.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.56 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.06 -22.81 11.13 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.488 0.566 . . . . 0.0 112.43 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -78.58 177.73 8.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.955 0.877 . . . . 0.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -144.93 169.11 18.7 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.426 0.631 . . . . 0.0 112.5 -174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.0 163.74 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.94 1.696 . . . . 0.0 106.914 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -136.86 147.4 46.47 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 121.658 -0.652 . . . . 0.0 111.044 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -137.46 147.3 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 109.552 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -134.22 49.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.45 5.2 4.74 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.373 0.669 . . . . 0.0 110.745 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -146.5 13.15 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.257 0.623 . . . . 0.0 112.033 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.48 140.83 47.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.953 0.797 . . . . 0.0 110.467 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -143.65 151.15 39.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 mm -135.4 151.27 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.4 m -140.33 151.85 45.35 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.758 0.253 . . . . 0.0 110.738 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.4 88.48 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.77 -23.62 66.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.17 -174.79 43.03 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 118.181 0.446 . . . . 0.0 113.44 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.5 152.82 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.009 0.923 . . . . 0.0 109.147 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -148.51 64.58 1.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.676 0.791 . . . . 0.0 109.308 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -130.19 11.5 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -70.19 -8.67 51.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.063 0.432 . . . . 0.0 110.624 177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.44 160.09 14.52 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.826 -0.546 . . . . 0.0 110.089 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.67 149.32 18.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 124.318 1.047 . . . . 0.0 109.455 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.69 117.4 24.14 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.34 156.69 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 123.154 0.581 . . . . 0.0 110.589 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 161.12 19.57 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.03 134.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -129.06 74.02 1.55 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 122.524 1.154 . . . . 0.0 109.444 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 158.47 47.17 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 113.707 -1.588 . . . . 0.0 107.981 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.76 153.4 53.68 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 122.055 1.837 . . . . 0.0 108.816 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -72.0 -1.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.297 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.45 -12.86 61.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.53 0.732 . . . . 0.0 110.379 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.98 144.55 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.956 0.884 . . . . 0.0 110.556 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.28 147.21 44.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.369 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.69 115.28 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.45 164.24 37.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -72.18 161.43 30.89 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' C' ' 11' ' ' SER . 7.6 mm-40 -70.12 -39.55 75.4 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -69.63 3.94 2.18 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.45 -28.71 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.231 0.469 . . . . 0.0 110.716 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 76.8 t80 -63.23 -35.32 79.95 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.596 1.089 . . . . 0.0 109.943 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.76 -15.51 61.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -93.32 -25.6 17.66 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.9 mt -71.65 -51.74 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.496 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.6 mm-40 -73.42 5.65 3.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.781 0.432 . . . . 0.0 111.582 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.84 61.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.788 -0.148 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 13.81 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.671 -0.516 . . . . 0.0 112.62 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -137.9 -169.52 2.57 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.844 0.857 . . . . 0.0 110.679 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -139.2 170.75 15.38 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 122.476 0.31 . . . . 0.0 110.243 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.1 148.31 11.43 Favored Pre-proline 0 C--O 1.234 0.245 0 C-N-CA 123.346 0.658 . . . . 0.0 111.504 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.12 -27.05 16.17 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.113 3.209 . . . . 0.0 113.911 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 125.242 1.417 . . . . 0.0 113.93 178.322 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.342 -3.358 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.365 -3.335 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.4 -3.3 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.479 3.279 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.977 -3.723 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 98.996 -3.704 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C4'-C3'-C2' 99.287 -3.413 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.042 -3.658 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 O4'-C1'-N19 111.325 3.125 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.072 -2.628 . 0.185 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 112.164 -2.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.522 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 110.972 -3.019 . 0.018 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.398 3.198 . 0.124 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-C3' 110.166 -3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 C4'-C3'-C2' 98.426 -4.274 . 0.04 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.123 -3.577 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.067 -3.633 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C4'-C3'-C2' 99.342 -3.358 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.589 -3.111 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.736 -2.964 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.14 -3.56 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.719 -2.981 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 137.75 33.72 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -126.16 147.15 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 123.195 0.598 . . . . 0.0 109.489 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.51 168.44 20.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -128.61 139.76 52.11 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -141.62 173.4 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.14 153.67 49.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.315 0.507 . . . . 0.0 109.817 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.64 114.58 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 C-N-CA 123.273 0.629 . . . . 0.0 109.972 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.77 13.61 21.55 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.585 -0.564 . . . . 0.0 112.698 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -125.57 177.26 6.32 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.029 0.915 . . . . 0.0 110.458 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.478 ' HB2' ' HG3' ' A' ' 45' ' ' GLU . 75.8 m -145.49 168.65 20.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 ' N ' ' C' ' 13' ' ' ASN . 38.9 mm -136.32 166.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.237 1.815 . . . . 0.0 107.331 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.419 ' N ' HG22 ' C' ' 12' ' ' ILE . 9.9 t-20 -136.74 147.83 46.93 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.904 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -142.55 145.15 23.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.694 0.797 . . . . 0.0 110.112 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.95 -135.33 51.6 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.51 7.53 4.9 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.193 0.997 . . . . 0.0 109.838 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -145.77 9.3 1.16 Allowed 'General case' 0 C--N 1.34 0.153 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.3 mt -133.16 140.7 46.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 118.462 0.574 . . . . 0.0 110.836 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 13.3 m -144.86 149.56 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -133.7 152.71 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 123.433 0.693 . . . . 0.0 109.157 -173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -141.4 152.74 44.58 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-O 120.919 0.39 . . . . 0.0 111.13 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -109.34 110.13 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.0 -24.82 24.54 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.222 -172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.17 -172.48 40.8 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.826 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -131.88 163.1 38.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 123.058 0.543 . . . . 0.0 109.919 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -151.02 60.83 0.92 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.68 -129.77 16.81 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.24 -1.03 5.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.244 0.617 . . . . 0.0 111.299 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 164.96 14.65 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.168 -0.332 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -149.49 145.64 17.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.406 0.682 . . . . 0.0 110.758 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -118.74 131.16 56.12 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -134.05 156.69 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.033 1.333 . . . . 0.0 109.64 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.98 164.14 18.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.11 134.67 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -121.74 74.8 1.15 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.164 0.986 . . . . 0.0 108.968 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.82 155.41 75.39 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.14 153.97 36.89 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.557 2.171 . . . . 0.0 108.373 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -70.23 1.16 5.12 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.959 -0.463 . . . . 0.0 111.291 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.75 -13.83 62.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.248 0.619 . . . . 0.0 109.527 170.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.72 144.78 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.0 151.82 25.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 2' ' ' LEU . 1.1 p -148.69 124.43 2.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 168.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -148.05 165.76 29.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.026 0.931 . . . . 0.0 110.713 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 9.1 ptm180 -67.19 149.47 50.42 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.447 1.099 . . . . 0.0 109.361 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -70.62 -24.0 62.65 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.515 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 7.5 pm0 -82.27 2.91 29.73 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.752 0.705 . . . . 0.0 111.589 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.41 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.0 mt -130.79 -24.99 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.189 0.596 . . . . 0.0 110.143 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 69.5 t80 -62.77 -32.87 74.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.331 -0.948 . . . . 0.0 110.069 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -74.2 -14.02 60.88 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -93.74 -27.81 16.29 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.63 0.372 . . . . 0.0 110.138 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.478 HG22 HE21 ' C' ' 52' ' ' GLN . 96.6 mt -69.62 -49.44 58.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.478 HE21 HG22 ' C' ' 51' ' ' ILE . 83.5 mm-40 -75.18 5.36 5.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.595 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 -16.71 61.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.673 -0.204 . . . . 0.0 111.212 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.43 17.1 1.43 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.443 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.29 -172.48 3.29 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.521 0.728 . . . . 0.0 110.566 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.4 p -139.48 174.25 10.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.833 0.453 . . . . 0.0 110.351 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.35 153.41 9.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.024 0.53 . . . . 0.0 111.866 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.49 -176.84 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 124.019 3.146 . . . . 0.0 112.574 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.025 -173.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.715 -2.985 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.405 -3.295 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.953 -3.747 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.557 -3.143 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.356 -3.344 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.585 -3.115 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 C4'-C3'-C2' 99.448 -3.252 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.874 3.674 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 108.495 -3.066 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 99.803 -2.897 . 0.392 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.431 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.926 -3.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 110.869 -3.087 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.442 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.218 3.018 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 111.462 -2.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.442 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.374 -3.326 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.232 -3.468 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.506 -3.194 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.132 2.932 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.736 -2.964 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.304 -3.396 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.992 2.792 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.46 139.04 34.19 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -126.05 147.71 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 123.079 0.551 . . . . 0.0 109.736 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.77 166.22 26.52 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -128.35 134.63 48.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -137.51 173.36 11.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -132.93 154.33 50.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG13 ' HA2' ' A' ' 24' ' ' GLY . 84.8 t -51.71 114.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.95 10.13 21.38 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -118.63 176.46 5.25 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.113 0.956 . . . . 0.0 110.732 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -143.44 168.31 20.14 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.441 0.639 . . . . 0.0 112.484 -171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.36 163.37 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.262 1.825 . . . . 0.0 106.935 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.71 148.68 44.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.59 0.632 . . . . 0.0 111.273 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.9 mt -139.46 143.52 30.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.785 0.834 . . . . 0.0 109.721 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.16 -135.64 49.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.72 9.67 5.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.665 0.786 . . . . 0.0 109.845 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -144.47 8.35 1.35 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -133.53 140.17 47.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.416 0.553 . . . . 0.0 110.826 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -144.79 150.89 37.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -134.16 152.85 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -142.61 151.63 41.69 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.231 0.469 . . . . 0.0 110.914 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.54 91.13 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.48 -26.29 66.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.857 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.83 -174.87 43.43 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.491 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.05 153.75 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -147.95 64.64 1.11 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.799 0.84 . . . . 0.0 108.83 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.14 -128.76 11.02 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.59 -9.07 55.99 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.753 -0.263 . . . . 0.0 110.718 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -98.46 160.29 14.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.396 0.617 . . . . 0.0 110.178 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.53 148.91 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 124.415 1.086 . . . . 0.0 109.372 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 120.48 31.69 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 pt -136.02 158.13 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 111.271 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.0 162.93 20.12 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -138.65 133.35 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -125.44 74.29 1.38 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 122.227 1.013 . . . . 0.0 108.636 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.43 157.66 61.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.416 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.89 156.61 30.9 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.726 2.284 . . . . 0.0 109.571 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.9 -0.89 10.16 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 122.139 -0.351 . . . . 0.0 110.808 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.86 -13.38 62.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.077 0.551 . . . . 0.0 109.818 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.9 144.1 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-O 121.749 0.785 . . . . 0.0 109.85 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.18 145.84 46.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.31 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.0 t -146.88 116.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -151.11 160.31 43.96 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -62.11 149.12 42.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.724 1.21 . . . . 0.0 110.195 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.69 -23.67 67.33 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.032 -0.418 . . . . 0.0 111.108 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.25 -10.23 59.51 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.457 0.703 . . . . 0.0 111.823 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.16 -23.22 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.137 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 74.7 t80 -62.5 -34.05 76.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.512 1.051 . . . . 0.0 110.242 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -74.7 -14.65 60.76 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.898 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.82 -26.71 16.82 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.1 mt -70.63 -51.67 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' A' ' 51' ' ' ILE . 83.1 mm-40 -73.88 5.69 3.93 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.669 -176.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.78 62.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 122.364 -0.21 . . . . 0.0 111.015 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.35 14.98 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.813 -0.437 . . . . 0.0 112.56 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.58 -171.27 3.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.592 0.757 . . . . 0.0 111.048 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.32 174.49 10.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.974 0.51 . . . . 0.0 109.914 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.75 148.26 13.66 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.109 0.563 . . . . 0.0 111.78 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.77 -172.53 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.899 3.066 . . . . 0.0 111.585 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 123.862 0.865 . . . . 0.0 111.18 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.66 -3.04 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C4'-C3'-C2' 99.397 -3.303 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.338 -3.362 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.632 -3.068 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.113 -3.587 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.551 -3.149 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.902 -3.798 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.806 3.606 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 N19-C1'-C2' 108.29 -3.194 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 N19-C1'-C2' 108.916 -2.803 . 0.251 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.464 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-C3' 112.232 -2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.109 2.909 . 0.041 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.173 2.973 OUTLIER-DELTA 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 N19-C1'-C2' 109.078 -2.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.273 -3.427 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.092 -3.608 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.379 -3.321 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.656 -3.044 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.99 -2.71 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.152 -3.548 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.551 -3.149 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.8 137.86 38.66 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.19 145.99 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -144.04 169.83 17.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.8 m -128.63 137.06 51.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.593 HH21 HG12 ' C' ' 12' ' ' ILE . 0.5 OUTLIER -139.58 176.98 8.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.212 0.605 . . . . 0.0 110.534 -172.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -137.9 163.18 32.1 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -51.51 118.84 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.663 0.385 . . . . 0.0 110.554 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -11.64 57.37 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.572 0.606 . . . . 0.0 112.353 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -77.05 164.25 25.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.692 0.746 . . . . 0.0 111.16 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -139.98 161.92 36.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.785 0.434 . . . . 0.0 111.252 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.593 HG12 HH21 ' C' ' 6' ' ' ARG . 37.7 mm -136.32 166.72 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 125.408 1.483 . . . . 0.0 107.139 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.426 ' N ' HG22 ' C' ' 12' ' ' ILE . 15.9 t-20 -136.64 149.67 48.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.49 0.586 . . . . 0.0 110.81 -175.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.04 147.54 22.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.136 0.975 . . . . 0.0 109.701 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.19 -135.93 51.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.98 5.57 4.97 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.367 0.667 . . . . 0.0 110.571 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -144.08 1.82 1.13 Allowed 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 140.66 33.6 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 CA-C-N 118.983 0.811 . . . . 0.0 110.543 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.05 149.1 41.23 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -132.46 149.53 32.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -144.21 155.96 44.11 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.43 HD13 ' H ' ' C' ' 24' ' ' GLY . 0.1 OUTLIER -111.17 129.68 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 mt -100.4 -25.54 14.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.881 -0.512 . . . . 0.0 111.172 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.43 ' H ' HD13 ' C' ' 22' ' ' ILE . . . 166.48 -175.3 41.91 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.548 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.83 159.98 38.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.002 0.521 . . . . 0.0 110.456 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -149.46 60.39 1.02 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.327 1.051 . . . . 0.0 109.204 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.98 -128.53 11.01 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.03 -1.86 11.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.513 0.325 . . . . 0.0 110.938 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.54 161.81 16.94 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.254 0.549 . . . . 0.0 110.547 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.7 t -149.86 144.2 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.933 0.893 . . . . 0.0 109.874 -172.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -117.51 131.5 56.7 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 121.709 0.766 . . . . 0.0 109.159 172.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 pt -132.13 156.63 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 125.128 1.371 . . . . 0.0 109.727 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.66 161.5 13.64 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.52 134.25 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -133.23 48.91 2.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.987 0.899 . . . . 0.0 110.486 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.19 159.82 66.98 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 168.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.91 148.38 57.52 Favored 'Trans proline' 0 N--CA 1.444 -1.412 0 C-N-CA 121.991 1.794 . . . . 0.0 108.143 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.98 -2.8 10.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.87 -12.43 60.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.006 0.922 . . . . 0.0 111.517 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.53 145.8 28.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 118.638 0.654 . . . . 0.0 110.734 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.16 146.98 52.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.561 0.744 . . . . 0.0 111.045 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.407 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 84.2 t -147.69 121.77 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.464 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 84.5 m-70 -151.35 172.43 15.91 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.092 0.957 . . . . 0.0 109.986 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.1 OUTLIER -91.85 160.6 15.22 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.007 176.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.7 -29.59 70.58 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.57 1.38 14.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.495 0.589 . . . . 0.0 111.547 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.7 mt -134.16 -27.2 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 O-C-N 122.132 -0.355 . . . . 0.0 111.196 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.4 t80 -63.23 -32.78 74.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.739 -1.226 . . . . 0.0 109.808 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -75.65 -13.65 60.33 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.253 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -93.7 -29.73 15.26 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.586 HG22 HE21 ' C' ' 52' ' ' GLN . 91.3 mt -68.78 -46.96 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.586 HE21 HG22 ' C' ' 51' ' ' ILE . 78.5 mm-40 -77.24 5.52 8.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.297 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.53 -18.1 60.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.498 -0.287 . . . . 0.0 111.32 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.98 17.8 1.13 Allowed Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.99 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.439 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.51 -172.37 3.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.602 0.761 . . . . 0.0 110.92 -173.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.6 p -140.15 171.17 14.55 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.6 155.84 13.36 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.813 0.845 . . . . 0.0 112.489 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.26 -168.5 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 124.486 3.457 . . . . 0.0 111.159 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.124 -176.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 100.033 -2.667 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.307 -3.393 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.03 -3.67 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.538 -3.162 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.258 -3.442 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.5 -3.2 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.736 3.536 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.795 3.595 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 N19-C1'-C2' 108.492 -3.068 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 O4'-C1'-N19 111.981 3.781 . 0.362 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.406 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C5'-C4'-C3' 111.397 -2.736 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.268 -2.821 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.406 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.96 -3.027 OUTLIER-DELTA 0.029 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.65 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.803 -2.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.356 -3.344 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.112 -3.588 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.252 -3.448 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.867 -2.833 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.784 -2.916 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.112 -3.588 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.293 3.093 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 126.39 42.38 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.407 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 2.5 mp -113.84 141.02 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 122.823 0.449 . . . . 0.0 110.136 -177.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.19 165.89 20.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.129 0.972 . . . . 0.0 108.568 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.1 m -128.73 131.25 47.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -142.62 174.37 10.7 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.76 0.824 . . . . 0.0 108.923 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -131.43 163.7 27.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG13 ' HA2' ' A' ' 24' ' ' GLY . 85.4 t -52.83 114.58 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.42 7.37 20.74 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.473 -0.626 . . . . 0.0 112.825 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -117.21 179.51 4.01 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.133 0.966 . . . . 0.0 110.728 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -144.14 168.99 18.72 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.33 163.41 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 126.233 1.813 . . . . 0.0 107.114 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -141.17 151.36 43.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -136.98 115.36 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.61 2.88 9.97 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-O 119.355 -0.692 . . . . 0.0 114.734 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.89 -7.55 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.333 1.067 . . . . 0.0 110.405 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 119.2 31.04 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.802 2.841 . . . . 0.0 110.448 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.82 151.23 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.442 0.639 . . . . 0.0 112.434 -173.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.7 m -137.63 152.45 49.35 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -134.73 152.43 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.433 0.693 . . . . 0.0 109.145 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -140.61 151.96 45.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.743 0.417 . . . . 0.0 110.31 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.6 94.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.7 -26.22 64.25 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.573 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.07 -174.16 42.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-O 121.535 0.519 . . . . 0.0 113.452 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.77 153.33 19.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 123.818 0.847 . . . . 0.0 109.251 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -147.06 64.44 1.17 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.184 0.994 . . . . 0.0 109.166 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.57 -130.43 11.16 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -70.5 -8.56 52.13 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.091 0.446 . . . . 0.0 110.927 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.48 159.4 14.98 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 121.18 0.514 . . . . 0.0 109.911 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.8 147.41 19.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.025 0.93 . . . . 0.0 110.171 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 119.69 31.36 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -136.96 158.18 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 C-N-CA 123.25 0.62 . . . . 0.0 110.604 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.49 161.74 22.77 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.13 143.49 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.8 74.67 1.55 Allowed 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.125 0.97 . . . . 0.0 108.697 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.68 156.94 67.43 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.064 0.946 . . . . 0.0 108.496 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.28 151.21 48.42 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.912 1.741 . . . . 0.0 108.614 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -71.02 -1.61 12.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.122 -0.361 . . . . 0.0 110.234 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.02 -13.21 61.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.999 0.92 . . . . 0.0 110.547 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.91 144.6 34.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.829 0.823 . . . . 0.0 110.73 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.31 144.95 53.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 61.3 t -147.22 114.83 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 19.8 m-70 -147.24 -175.86 5.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.143 0.977 . . . . 0.0 109.733 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 151.93 29.88 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.151 -0.343 . . . . 0.0 111.274 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.22 -23.79 65.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -167.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.19 0.63 18.36 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.952 0.797 . . . . 0.0 110.542 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -26.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 123.559 0.744 . . . . 0.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.6 -32.47 72.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 110.578 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.1 -12.48 60.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.691 0.396 . . . . 0.0 110.676 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -93.2 -26.97 17.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.129 0.572 . . . . 0.0 109.973 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' NE2' ' A' ' 52' ' ' GLN . 98.2 mt -71.5 -52.12 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.6 mm-40 -73.81 5.34 4.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.762 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.53 63.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.853 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.59 15.48 0.65 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.524 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.07 -171.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.764 0.782 . . . . 0.0 111.278 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -139.99 175.93 9.17 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.251 0.621 . . . . 0.0 110.122 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.53 151.79 7.28 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.381 0.673 . . . . 0.0 112.026 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.75 -174.41 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 124.167 3.245 . . . . 0.0 112.487 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.884 0.874 . . . . 0.0 109.926 -174.514 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.846 -2.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.509 -3.191 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.315 -3.385 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 O4'-C1'-N19 111.122 2.922 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.422 -4.278 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 99.849 -2.851 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.914 3.714 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.818 3.618 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.468 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 N19-C1'-C2' 108.47 -3.081 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 N19-C1'-C2' 109.092 -2.692 . 0.2 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.45 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 111.055 -2.963 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.435 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 110.698 -3.202 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.808 3.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C4'-C3'-C2' 98.66 -4.04 . 0.011 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.457 -3.243 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.058 -3.642 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.241 -3.459 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.035 -2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.547 -3.153 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.211 -3.489 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.733 -2.967 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.75 36.37 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.46 147.11 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -144.14 167.59 22.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.7 m -128.25 141.0 51.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -145.97 173.04 12.5 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -135.69 155.65 50.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.835 0.289 . . . . 0.0 110.271 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.9 t -51.08 114.75 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.032 0.533 . . . . 0.0 110.487 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.95 10.51 24.34 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.749 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -124.29 -179.93 4.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.669 0.734 . . . . 0.0 110.409 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -143.33 172.27 12.99 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -135.1 161.57 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 126.626 1.97 . . . . 0.0 106.004 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -137.37 147.16 45.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.403 0.547 . . . . 0.0 111.26 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt -142.64 144.63 24.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.58 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.79 -136.02 51.5 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.58 6.81 4.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.703 0.801 . . . . 0.0 110.025 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -147.32 11.55 1.02 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.59 144.0 37.18 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.453 0.644 . . . . 0.0 110.721 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -142.71 146.71 34.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -129.62 150.15 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -140.43 150.79 44.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.058 0.39 . . . . 0.0 111.09 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.09 94.34 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.8 -24.14 61.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.822 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 163.32 -172.68 39.34 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-O 121.208 0.338 . . . . 0.0 112.536 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.57 163.0 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.614 0.766 . . . . 0.0 109.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 58.75 0.92 Allowed 'General case' 0 C--N 1.335 -0.064 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.2 -130.28 12.31 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.44 -11.41 57.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.988 0.394 . . . . 0.0 110.817 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -94.63 162.93 13.59 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 121.056 0.455 . . . . 0.0 110.164 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.2 148.51 18.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.596 0.758 . . . . 0.0 110.04 -175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.11 115.2 23.2 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.298 1.039 . . . . 0.0 108.47 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.37 157.11 30.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 123.451 0.7 . . . . 0.0 110.182 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.81 167.66 25.54 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.9 143.86 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.51 75.12 1.63 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 122.193 0.997 . . . . 0.0 109.218 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.31 159.92 43.55 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 125.883 1.673 . . . . 0.0 107.257 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.66 152.33 53.32 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 121.897 1.732 . . . . 0.0 108.842 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -72.59 -0.62 13.38 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -71.5 -13.79 61.92 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.176 0.59 . . . . 0.0 110.309 171.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.27 144.39 36.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.782 0.801 . . . . 0.0 110.562 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.17 145.22 49.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.906 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -145.67 118.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 55.9 m-70 -151.74 170.78 18.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.445 0.698 . . . . 0.0 111.0 -175.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.468 HH22 " H3'" ' B' ' 25' ' ' ' A' . 7.1 ptp180 -71.72 161.29 31.21 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -71.17 -23.9 62.14 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 122.06 -0.4 . . . . 0.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.35 -11.04 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.41 0.684 . . . . 0.0 111.844 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.11 -24.69 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 O-C-N 121.991 -0.443 . . . . 0.0 111.348 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.0 t80 -62.59 -35.42 79.46 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -74.16 -12.88 60.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.881 0.472 . . . . 0.0 111.263 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.73 -29.9 15.16 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.599 HG22 HE21 ' C' ' 52' ' ' GLN . 96.3 mt -68.43 -48.56 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.599 HE21 HG22 ' C' ' 51' ' ' ILE . 74.6 mm-40 -75.07 5.39 5.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.541 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -16.96 61.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.786 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.86 18.18 1.26 Allowed Glycine 0 C--N 1.342 0.874 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -142.18 -172.82 3.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.685 0.743 . . . . 0.0 111.186 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -141.55 170.68 15.27 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 122.857 0.463 . . . . 0.0 110.171 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 150.04 40.73 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 122.752 0.421 . . . . 0.0 111.245 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.06 165.27 28.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 124.005 3.136 . . . . 0.0 110.628 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.827 177.568 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.418 -3.282 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.506 -3.194 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.589 -3.111 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.364 -3.336 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.552 -3.148 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 O4'-C1'-N19 111.765 3.565 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.817 3.617 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 N19-C1'-C2' 107.938 -3.414 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.627 -3.073 . 0.484 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.46 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.978 -2.348 . 0.066 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.468 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.501 3.301 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 110.024 -3.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.468 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.842 -2.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.583 -3.117 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.004 -3.696 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.387 -3.313 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.469 -3.231 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 C4'-C3'-C2' 99.849 -2.851 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.258 -3.442 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C4'-C3'-C2' 99.81 -2.89 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 134.07 34.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.81 148.96 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.98 166.97 23.26 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 m -124.11 139.68 53.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -143.44 170.0 16.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -171.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.98 47.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -48.95 119.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 123.436 0.694 . . . . 0.0 110.981 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.37 39.79 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.504 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -85.81 178.36 7.34 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.085 0.942 . . . . 0.0 110.88 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -142.9 172.41 12.74 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -140.6 162.5 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.398 1.879 . . . . 0.0 106.566 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.18 152.13 49.55 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-N 118.444 0.565 . . . . 0.0 111.5 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.31 150.13 16.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.614 0.765 . . . . 0.0 109.529 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -135.46 51.74 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -130.21 5.22 4.85 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.618 0.767 . . . . 0.0 110.691 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.93 4.33 0.97 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -117.91 140.12 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.987 0.812 . . . . 0.0 111.252 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.08 147.37 38.46 Favored 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -131.36 149.57 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -141.32 151.8 43.91 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 117.654 0.206 . . . . 0.0 110.577 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -109.43 93.47 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.61 -27.68 67.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.605 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.17 -172.93 43.56 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 121.625 -0.321 . . . . 0.0 113.044 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -141.66 154.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 C-N-CA 123.55 0.74 . . . . 0.0 109.177 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -147.29 64.34 1.15 Allowed 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 123.409 0.684 . . . . 0.0 109.276 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.83 -129.92 11.25 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -70.33 -8.2 48.6 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.662 -0.317 . . . . 0.0 110.847 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.61 159.03 15.23 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.935 -0.478 . . . . 0.0 110.152 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.91 144.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 124.484 1.114 . . . . 0.0 109.485 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 116.17 23.0 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.86 157.29 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.855 0.462 . . . . 0.0 110.854 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -120.53 155.48 16.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -132.31 131.67 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.78 53.62 1.98 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.842 0.829 . . . . 0.0 109.769 -173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.78 159.8 51.33 Favored Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.08 149.54 65.02 Favored 'Trans proline' 0 N--CA 1.445 -1.338 0 N-CA-C 107.634 -1.718 . . . . 0.0 107.634 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.84 -1.0 8.17 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.138 -0.351 . . . . 0.0 110.497 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.52 -11.37 59.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.06 0.944 . . . . 0.0 111.386 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 m -120.73 145.31 27.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 110.278 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 146.32 52.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.21 113.26 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -152.21 161.13 43.07 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -70.76 157.97 37.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.45 -35.52 79.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 111.33 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.81 1.49 4.31 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mt -134.39 -30.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.181 0 CA-C-N 118.288 0.495 . . . . 0.0 111.03 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.0 t80 -63.06 -35.63 80.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.627 1.103 . . . . 0.0 110.516 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.35 -14.04 60.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -93.76 -26.22 17.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.503 HG22 ' NE2' ' A' ' 52' ' ' GLN . 95.9 mt -71.4 -51.8 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' A' ' 51' ' ' ILE . 79.5 mm-40 -73.12 5.88 3.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.979 0.512 . . . . 0.0 112.041 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.35 -17.59 62.42 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.105 0.162 . . . . 0.0 110.68 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 15.68 0.83 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.154 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -138.56 -171.66 3.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.532 0.733 . . . . 0.0 111.211 -174.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 p -138.92 177.44 7.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.445 0.698 . . . . 0.0 109.553 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.65 146.2 10.0 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.276 -0.265 . . . . 0.0 111.657 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.04 -23.5 29.45 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.835 3.023 . . . . 0.0 112.618 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 118.077 0.399 . . . . 0.0 111.027 -176.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.329 -3.371 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.162 -3.538 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.584 -3.116 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.045 -3.655 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.145 -3.555 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.253 -3.447 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.196 -3.504 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.475 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.375 -3.325 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 N19-C1'-C2' 109.954 -2.154 . 0.091 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.481 ' N3 ' " H2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.046 -2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.236 -2.843 . 0.262 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.727 " H2'" H5'' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.727 H5'' " H2'" ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.709 3.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . 0.431 ' C6 ' ' C2 ' ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.545 1 P-O3'-C3' 124.84 4.283 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 1 C4'-C3'-C2' 98.662 -4.038 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 98.813 -3.887 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.651 -3.049 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.669 -3.031 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.189 -3.511 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.309 3.109 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.16 100.6 11.18 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -174.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.425 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 mp -82.52 147.19 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.42 168.81 19.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 m -128.37 140.94 51.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -142.76 173.52 11.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -137.85 154.74 49.46 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 98.2 t -51.82 115.07 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.212 0.605 . . . . 0.0 110.361 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.02 11.55 24.05 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.645 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -124.28 178.77 5.19 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.783 0.791 . . . . 0.0 110.519 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.4 p -153.31 169.61 22.65 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 43.2 mm -136.01 164.8 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 126.402 1.881 . . . . 0.0 107.936 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.9 t-20 -134.11 149.29 51.09 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.527 0.603 . . . . 0.0 111.326 -173.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -137.77 144.46 31.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 124.217 1.007 . . . . 0.0 108.695 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -135.62 47.19 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -131.03 6.57 4.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.131 0.572 . . . . 0.0 110.536 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -142.46 13.57 1.97 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.352 0.661 . . . . 0.0 111.921 -176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.2 mt -132.46 139.59 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.395 0.543 . . . . 0.0 109.574 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -144.19 154.28 42.96 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -134.95 150.15 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.8 m -142.63 151.02 41.03 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 117.948 0.34 . . . . 0.0 110.886 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.91 98.4 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.296 1.038 . . . . 0.0 108.562 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.45 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 44.3 mt -71.88 -29.4 64.32 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.255 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 168.36 -171.41 42.58 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-O 121.519 0.511 . . . . 0.0 112.996 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.76 163.91 36.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 C-N-CA 123.451 0.701 . . . . 0.0 109.766 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -150.93 60.13 0.92 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.554 0.741 . . . . 0.0 109.021 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.87 -131.14 15.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.63 -3.76 13.09 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.762 0.425 . . . . 0.0 111.158 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -102.74 165.75 10.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 110.331 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -144.5 148.26 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.703 0.801 . . . . 0.0 109.611 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 115.72 20.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.02 157.6 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.238 0.615 . . . . 0.0 110.902 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.19 164.2 22.26 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.34 140.95 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -130.73 75.31 1.65 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.109 0.957 . . . . 0.0 109.345 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.43 159.28 63.93 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.078 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.49 155.83 36.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.506 2.137 . . . . 0.0 108.969 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -69.91 -0.8 7.97 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.991 -0.443 . . . . 0.0 111.186 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.866 0.466 . . . . 0.0 110.094 170.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.4 144.19 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.742 0.782 . . . . 0.0 110.034 171.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 143.98 49.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.791 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -146.84 115.93 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.455 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 50.4 m-70 -148.5 168.04 23.77 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.176 0.59 . . . . 0.0 111.286 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.475 HH22 " H3'" ' B' ' 25' ' ' ' A' . 7.5 ptp180 -73.91 163.37 28.01 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.07 -23.75 60.59 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.838 -0.539 . . . . 0.0 111.702 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.35 -10.14 59.43 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.203 0.601 . . . . 0.0 111.59 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.27 -24.22 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 O-C-N 121.992 -0.443 . . . . 0.0 110.922 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.6 t80 -63.42 -34.25 77.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.878 -1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.91 -13.26 60.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -93.44 -26.89 17.01 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.525 HG22 HE21 ' C' ' 52' ' ' GLN . 97.9 mt -71.78 -49.33 46.14 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.525 HE21 HG22 ' C' ' 51' ' ' ILE . 82.3 mm-40 -73.82 5.62 3.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.199 -177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -18.67 61.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 122.406 0.282 . . . . 0.0 111.145 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.22 17.72 1.1 Allowed Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.718 -0.49 . . . . 0.0 112.206 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.427 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.83 -172.58 3.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.722 0.809 . . . . 0.0 111.199 -174.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -140.21 174.04 10.91 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.664 0.386 . . . . 0.0 110.618 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.14 152.47 10.98 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 111.581 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.18 -176.33 1.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 124.092 3.195 . . . . 0.0 112.48 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.636 -175.273 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.554 -3.146 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.432 -3.268 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.205 -3.495 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.391 -3.309 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.16 -3.54 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C4'-C3'-C2' 99.379 -3.321 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.707 3.507 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.874 3.674 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 N19-C1'-C2' 108.41 -3.118 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 110.702 2.502 . 0.249 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.43 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.01 -2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C5'-C4'-C3' 111.424 -2.717 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.428 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.079 -2.948 OUTLIER-DELTA 0.045 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 109.569 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.623 -3.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.205 -3.495 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.989 -3.711 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.546 -3.154 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.901 -2.799 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.581 -3.119 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.229 -3.471 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.572 -3.128 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.634 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.19 138.8 35.81 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.52 139.01 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -137.82 166.73 23.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.9 m -128.38 138.39 52.33 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -140.38 173.89 11.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 109.775 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -136.6 154.94 50.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.74 114.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.23 20.19 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.605 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -120.74 177.01 5.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.854 0.827 . . . . 0.0 110.481 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -144.2 169.9 17.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -137.3 160.98 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.97 148.21 52.5 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.834 -0.541 . . . . 0.0 110.404 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mm -139.48 147.52 24.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 C-N-CA 123.715 0.806 . . . . 0.0 110.003 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -134.01 42.8 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -130.28 5.47 4.84 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.27 0.628 . . . . 0.0 110.716 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -146.58 13.08 1.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.025 0.53 . . . . 0.0 112.048 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.93 143.95 39.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-N 118.642 0.655 . . . . 0.0 110.927 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 37.1 m -143.72 153.07 42.06 Favored 'General case' 0 N--CA 1.46 0.075 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -135.06 150.0 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -174.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -140.96 152.05 44.66 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.244 0.475 . . . . 0.0 111.436 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.03 97.47 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.72 -26.15 61.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.632 -174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.95 -172.33 40.6 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.588 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.65 161.6 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.038 0.535 . . . . 0.0 109.668 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -147.69 58.32 1.12 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.95 -129.06 11.43 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -70.1 -8.37 48.98 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.845 0.458 . . . . 0.0 110.753 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -98.01 162.89 13.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t -144.01 145.18 22.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 123.693 0.797 . . . . 0.0 110.34 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -119.94 117.05 27.05 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.356 1.062 . . . . 0.0 108.331 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.66 158.12 37.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 123.542 0.737 . . . . 0.0 109.805 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.73 164.78 24.35 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.59 143.08 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 8.5 m120 -126.95 75.65 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.313 1.045 . . . . 0.0 108.921 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.59 155.99 78.04 Favored Pre-proline 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.39 153.8 40.23 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 122.578 2.185 . . . . 0.0 108.064 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.52 0.79 6.06 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 122.045 -0.409 . . . . 0.0 111.461 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -69.97 -13.95 62.48 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 169.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.24 144.76 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.556 0.742 . . . . 0.0 109.034 172.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.66 152.53 23.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 HD12 ' C' ' 2' ' ' LEU . 1.2 p -147.97 126.17 3.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 168.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 66.0 m-70 -148.72 166.94 26.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.747 1.219 . . . . 0.0 110.712 -177.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.54 HH22 " H3'" ' D' ' 25' ' ' ' A' . 7.4 ptp180 -72.02 162.49 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.31 -20.76 56.99 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.936 -0.477 . . . . 0.0 112.185 -176.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.81 -11.2 60.69 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 123.05 0.54 . . . . 0.0 112.042 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mt -130.65 -20.44 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 122.646 0.378 . . . . 0.0 111.002 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.8 -36.99 82.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 118.694 -1.202 . . . . 0.0 109.504 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.57 -19.01 62.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.99 -28.56 15.07 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 117.857 0.298 . . . . 0.0 110.894 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG22 HE21 ' A' ' 52' ' ' GLN . 72.4 mt -67.46 -61.14 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 123.656 0.782 . . . . 0.0 109.997 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 HE21 HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -78.47 11.22 2.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.689 0.281 . . . . 0.0 111.617 -174.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -19.84 63.37 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 122.349 0.26 . . . . 0.0 110.759 173.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.69 11.74 0.35 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.044 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.7 pp -137.5 -169.59 2.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 117.985 0.892 . . . . 0.0 111.104 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -140.24 174.26 10.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.826 0.45 . . . . 0.0 110.638 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.04 153.33 9.19 Favored Pre-proline 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.827 . . . . 0.0 112.046 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.947 3.098 . . . . 0.0 112.521 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.972 -174.002 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.276 -3.424 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.339 -3.361 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.401 -3.299 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.001 -3.699 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.986 -2.714 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.051 -3.649 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 112.12 3.92 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.408 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.481 -3.219 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C5'-C4'-C3' 110.897 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.415 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.857 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.545 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 110.283 -3.478 . 0.011 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.415 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 110.714 -3.191 . 0.05 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.119 -3.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.736 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.554 -3.146 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.127 -3.573 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.352 -3.348 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.069 2.869 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.8 -2.9 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.048 -3.652 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.354 3.154 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -84.41 137.01 33.62 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.432 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.7 mp -120.3 138.32 51.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -134.71 162.9 31.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -121.6 140.83 51.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -144.78 172.78 12.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 -171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -138.73 158.86 43.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.424 HG13 ' HA2' ' C' ' 24' ' ' GLY . 96.1 t -52.14 116.84 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 9.47 30.03 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.967 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -121.82 179.03 4.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.882 0.841 . . . . 0.0 110.021 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.3 m -140.87 169.68 17.18 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.2 mm -136.99 162.76 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.496 1.918 . . . . 0.0 106.555 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.54 152.16 49.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.429 -0.794 . . . . 0.0 111.703 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -142.39 148.12 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.833 0.853 . . . . 0.0 109.166 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.96 -136.87 47.47 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -130.36 5.47 4.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.49 0.716 . . . . 0.0 110.298 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -143.34 12.28 1.75 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.211 0.604 . . . . 0.0 112.278 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 75.8 mt -130.17 137.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 CA-C-N 118.763 0.711 . . . . 0.0 110.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -141.92 151.09 42.3 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 mm -132.85 149.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 69.8 m -140.95 150.78 43.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.787 0.267 . . . . 0.0 110.792 -175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.62 95.73 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.4 -27.29 65.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.545 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.43 -174.68 42.57 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-O 121.35 0.417 . . . . 0.0 112.793 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.38 161.97 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.459 0.704 . . . . 0.0 109.746 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -151.2 60.83 0.9 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.57 -130.32 13.13 Favored Glycine 0 C--N 1.337 0.615 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -70.46 2.66 3.69 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.309 0.244 . . . . 0.0 110.991 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.12 163.02 15.75 Favored 'General case' 0 C--O 1.231 0.115 0 O-C-N 121.92 -0.488 . . . . 0.0 110.311 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.48 147.13 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.964 0.906 . . . . 0.0 109.888 -170.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.08 116.93 23.59 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.94 159.82 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 123.081 0.552 . . . . 0.0 110.555 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.8 161.2 23.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.0 136.82 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.72 74.83 1.56 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.302 1.048 . . . . 0.0 109.164 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.27 156.26 60.68 Favored Pre-proline 0 N--CA 1.453 -0.321 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.946 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.27 154.3 41.14 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.668 2.245 . . . . 0.0 108.208 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.89 0.24 6.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.518 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.43 -14.06 62.69 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.52 144.77 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 123.359 0.664 . . . . 0.0 109.412 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 154.49 24.86 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.051 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.634 HG13 HD12 ' A' ' 2' ' ' LEU . 1.7 p -148.95 123.84 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CG ' ' H22' ' B' ' 27' ' ' ' G' . 48.9 m-70 -149.51 168.05 24.57 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.772 1.229 . . . . 0.0 109.846 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.408 HH22 " H3'" ' B' ' 25' ' ' ' A' . 6.3 ptp180 -71.57 162.75 28.95 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 122.635 0.374 . . . . 0.0 110.217 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -73.38 -23.6 60.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.316 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.02 -16.78 63.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.746 0.818 . . . . 0.0 111.49 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.87 -24.07 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 O-C-N 121.954 -0.466 . . . . 0.0 111.214 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.497 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.9 t80 -63.09 -34.74 78.24 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.197 -0.94 . . . . 0.0 110.044 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -73.0 -14.76 61.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.269 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -93.53 -29.41 15.53 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.642 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -68.61 -46.86 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.642 HE21 HG22 ' C' ' 51' ' ' ILE . 72.0 mm-40 -77.0 5.15 8.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.388 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -16.35 61.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.853 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.55 18.75 1.76 Allowed Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.471 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -141.18 -172.63 3.53 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.473 0.709 . . . . 0.0 110.986 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -140.97 166.92 23.46 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.39 152.77 52.63 Favored Pre-proline 0 C--O 1.234 0.24 0 C-N-CA 122.82 0.448 . . . . 0.0 111.342 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.33 164.75 33.4 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.678 2.919 . . . . 0.0 111.542 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.577 178.781 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.807 -2.893 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.163 -3.537 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.452 -3.248 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.072 2.872 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 98.872 -3.828 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.561 -3.139 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 98.93 -3.77 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . 0.54 " H3'" HH22 ' A' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.383 -3.317 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.237 -2.463 . 0.044 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . 0.495 ' N1 ' HG12 ' A' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 111.25 -2.833 . 0.17 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.473 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.652 3.452 OUTLIER-DELTA 0.012 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.432 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 C4'-C3'-C2' 98.518 -4.182 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.407 -3.293 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.915 -3.785 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.231 -3.469 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.601 -3.099 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.719 -2.981 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.14 -3.56 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.458 3.258 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.71 121.6 42.77 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 3.1 mp -107.06 147.44 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.73 169.06 18.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.61 140.97 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -140.94 173.7 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -131.82 151.34 51.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 30.5 m -59.99 115.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.987 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.15 5.63 9.48 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.096 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -119.19 -178.6 3.62 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.954 0.877 . . . . 0.0 111.068 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p -153.0 169.56 22.58 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 13' ' ' ASN . 39.9 mm -134.68 166.62 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.252 1.821 . . . . 0.0 108.191 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 12' ' ' ILE . 13.1 t-20 -138.77 148.33 43.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.548 0.613 . . . . 0.0 111.034 -174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -142.5 147.12 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.695 0.798 . . . . 0.0 110.186 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.71 -135.81 50.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -130.56 5.25 4.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.784 0.834 . . . . 0.0 110.129 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.5 13.53 1.76 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.176 0.59 . . . . 0.0 112.025 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.93 138.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.773 0.715 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -144.14 150.48 38.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.19 149.45 30.23 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 m -140.36 149.63 42.94 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.872 0.306 . . . . 0.0 110.959 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -109.82 97.23 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.977 0.911 . . . . 0.0 108.783 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 42.6 mt -68.48 -32.54 72.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.455 -176.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.56 -167.79 37.89 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.324 0.402 . . . . 0.0 113.436 171.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.14 155.34 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.357 0.663 . . . . 0.0 109.855 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -144.25 60.46 1.35 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.029 0.932 . . . . 0.0 108.777 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.16 -120.76 10.77 Favored Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -67.74 -11.69 58.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.105 0.562 . . . . 0.0 111.932 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -113.63 166.13 11.83 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.361 0.601 . . . . 0.0 111.383 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.1 t -140.95 151.47 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.517 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 117.67 24.25 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.604 1.162 . . . . 0.0 108.299 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 pt -136.91 157.09 35.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -172.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -125.21 160.74 19.8 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.7 mt -136.1 134.51 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -126.65 74.0 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.21 1.005 . . . . 0.0 109.083 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 158.35 58.67 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 113.218 -1.81 . . . . 0.0 107.855 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.73 155.46 35.07 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 122.562 2.175 . . . . 0.0 109.099 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -70.43 -0.66 8.76 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 122.142 -0.348 . . . . 0.0 110.836 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.22 -12.32 61.57 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.97 0.508 . . . . 0.0 109.793 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.46 144.1 38.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.092 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.16 147.91 44.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.782 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -145.14 126.94 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -154.41 163.23 40.49 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 122.438 0.295 . . . . 0.0 111.026 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.76 160.23 30.99 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -65.25 -23.09 66.96 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.895 0.771 . . . . 0.0 109.462 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.94 -14.53 62.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.96 1.704 . . . . 0.0 112.125 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.64 -25.1 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 119.438 -0.315 . . . . 0.0 111.487 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 77.5 t80 -63.82 -33.81 76.51 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.851 -1.156 . . . . 0.0 110.443 -177.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -74.76 -13.86 60.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.319 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -93.54 -26.49 17.12 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.2 mt -72.15 -51.17 31.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.2 mm-40 -73.27 5.54 3.51 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.707 0.403 . . . . 0.0 111.526 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.74 62.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 122.039 0.135 . . . . 0.0 110.771 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.52 15.6 0.75 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.745 -0.475 . . . . 0.0 112.473 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.66 -171.43 2.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.44 0.696 . . . . 0.0 110.965 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -138.97 177.54 7.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.167 0.587 . . . . 0.0 109.906 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.59 146.12 13.87 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 122.913 0.485 . . . . 0.0 111.704 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -75.53 -170.62 0.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 124.103 3.202 . . . . 0.0 112.278 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.308 1.043 . . . . 0.0 110.745 -178.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.316 -3.384 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.465 -3.235 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 98.997 -3.703 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.781 -2.919 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.285 -3.415 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 111.603 3.403 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 C5'-C4'-C3' 109.38 -4.08 . 0.401 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 99.703 -2.997 . 0.108 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.482 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-C3' 111.817 -2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.79 4.59 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.482 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.893 3.693 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 111.509 3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . 0.482 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.859 -2.841 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.55 -3.15 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.181 -3.519 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.406 -3.294 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.635 -3.065 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.847 -2.853 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.571 -3.129 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.48 101.08 13.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.406 0.548 . . . . 0.0 109.953 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.409 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 2.2 mp -85.13 147.92 5.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -143.95 164.76 29.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -128.65 132.36 48.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -148.28 173.73 12.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -119.91 158.06 27.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 35.0 m -64.29 135.59 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.083 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.34 -2.5 50.42 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.56 -173.71 2.33 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 117.482 0.641 . . . . 0.0 111.101 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -144.5 169.75 17.36 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.213 0.53 . . . . 0.0 112.275 -172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.6 mm -137.15 165.87 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.621 1.568 . . . . 0.0 107.284 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 t-20 -139.33 149.18 43.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.831 0.741 . . . . 0.0 111.725 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.29 147.14 21.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 124.1 0.96 . . . . 0.0 109.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.54 49.25 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.27 5.81 4.86 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.57 0.748 . . . . 0.0 109.918 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.64 12.02 1.68 Allowed 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.194 0.598 . . . . 0.0 111.996 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -130.26 137.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.788 0.722 . . . . 0.0 110.063 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -144.65 148.81 34.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.27 150.31 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -137.84 145.96 42.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.509 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.55 98.58 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.39 -33.63 76.15 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.744 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 149.58 179.26 25.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 114.387 0.515 . . . . 0.0 114.387 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.434 HG13 HG11 ' C' ' 8' ' ' VAL . 10.8 m -75.19 159.11 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.783 0.833 . . . . 0.0 111.308 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.1 p -154.51 60.17 0.69 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.698 0.799 . . . . 0.0 109.393 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -136.92 19.49 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -70.08 -6.78 36.18 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -100.97 169.81 8.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.415 0.626 . . . . 0.0 110.971 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -144.04 143.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.694 0.798 . . . . 0.0 110.002 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.42 121.62 45.74 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 pt -133.7 159.75 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.873 0.869 . . . . 0.0 110.857 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 165.71 23.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.6 142.08 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -128.54 74.33 1.55 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 108.72 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.23 158.35 64.11 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.99 148.49 70.19 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 121.805 1.67 . . . . 0.0 108.521 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.72 -1.82 7.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -78.54 -12.77 60.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.207 1.003 . . . . 0.0 111.417 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.87 144.66 27.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 118.823 0.738 . . . . 0.0 110.555 173.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.43 52.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.126 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 67.7 t -147.63 112.56 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -148.91 165.74 30.66 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.609 0.764 . . . . 0.0 110.762 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -68.82 151.22 46.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.938 0.895 . . . . 0.0 109.812 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.14 -29.98 70.39 Favored 'General case' 0 CA--C 1.521 -0.15 0 O-C-N 121.581 -0.699 . . . . 0.0 111.024 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.29 -10.12 10.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.836 0.855 . . . . 0.0 112.131 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.94 -24.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 O-C-N 121.907 -0.496 . . . . 0.0 111.558 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.4 t80 -63.37 -34.37 77.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.047 -1.033 . . . . 0.0 110.134 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.89 -14.09 61.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -93.9 -29.24 15.39 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.615 0.366 . . . . 0.0 110.146 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.7 mt -68.02 -49.42 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.0 mm-40 -75.43 5.57 5.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.406 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.1 -17.51 60.93 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.527 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.0 17.19 1.17 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -138.43 -172.45 3.29 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.62 0.768 . . . . 0.0 110.752 -174.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 58.0 p -139.89 170.11 16.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.089 0.471 . . . . 0.0 110.569 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.21 155.41 17.62 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.935 0.894 . . . . 0.0 112.265 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.7 164.35 35.99 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.21 3.273 . . . . 0.0 110.827 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.626 179.727 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.697 -3.003 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.39 -3.31 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.452 -3.248 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.351 3.151 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C4'-C3'-C2' 98.345 -4.355 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.372 -3.328 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.694 3.494 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 N19-C1'-C2' 107.245 -3.847 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 100.758 -1.942 . 0.167 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.468 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-C3' 111.061 -2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . 0.418 ' H8 ' HO2' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.327 -2.782 . 0.078 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.751 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.737 3.537 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.751 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.745 3.545 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 P-O3'-C3' 125.218 4.598 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.148 -3.552 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 C4'-C3'-C2' 98.699 -4.001 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.228 -3.472 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.727 -2.973 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.765 -2.935 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.228 -3.472 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.371 3.171 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 136.58 32.95 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 HD13 ' C8 ' ' B' ' 29' ' ' ' A' . 3.3 mp -120.46 139.72 46.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 118.601 0.637 . . . . 0.0 109.998 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.29 162.47 26.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.451 1.1 . . . . 0.0 108.365 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.3 m -134.17 123.2 23.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -145.19 173.64 11.76 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -113.22 161.05 17.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.8 m -63.33 114.85 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.133 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.03 2.29 9.3 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -112.95 179.33 3.99 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 117.629 0.714 . . . . 0.0 110.593 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -142.45 170.29 15.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.528 0.68 . . . . 0.0 112.197 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 mm -136.68 164.32 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.382 1.873 . . . . 0.0 106.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.58 148.29 42.33 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.696 0.68 . . . . 0.0 111.306 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -142.51 147.25 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.516 0.727 . . . . 0.0 110.123 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.48 -135.37 50.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.47 5.44 4.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.782 0.833 . . . . 0.0 110.53 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -144.72 13.33 1.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.159 0.583 . . . . 0.0 112.005 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.49 137.62 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.642 0.656 . . . . 0.0 110.382 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -144.03 147.75 34.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -133.55 151.04 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -139.07 150.89 46.26 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.41 0.284 . . . . 0.0 110.733 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -109.62 104.37 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 " H1'" ' D' ' 30' ' ' ' C' . 21.7 mt -71.9 -36.71 70.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 121.263 -0.175 . . . . 0.0 110.857 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.79 175.91 28.27 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 121.033 -0.603 . . . . 0.0 114.551 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 HG11 ' A' ' 8' ' ' VAL . 15.7 m -75.37 162.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.619 0.768 . . . . 0.0 111.416 -178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.6 m -150.82 48.14 0.86 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.943 1.297 . . . . 0.0 107.5 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.04 -134.08 13.87 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -69.47 -7.2 35.91 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -97.98 166.62 11.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t -150.61 141.53 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.638 1.175 . . . . 0.0 109.209 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -116.4 134.3 55.03 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -133.91 156.56 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.794 1.238 . . . . 0.0 110.109 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 163.33 20.77 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.0 mt -139.0 142.89 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -130.57 73.93 1.57 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.906 0.883 . . . . 0.0 109.03 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.2 157.22 73.08 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.6 1.16 . . . . 0.0 108.15 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.76 155.39 34.92 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 122.51 2.14 . . . . 0.0 109.388 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -69.84 -0.83 7.88 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 122.238 -0.289 . . . . 0.0 110.617 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.24 -11.9 61.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.834 0.454 . . . . 0.0 110.06 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.24 144.16 38.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 109.727 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.44 144.1 51.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.814 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.19 115.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -149.93 166.07 30.7 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.533 0.521 . . . . 0.0 111.159 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -65.97 150.74 48.17 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.739 0.816 . . . . 0.0 109.446 172.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.94 -23.04 65.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.637 -0.665 . . . . 0.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -74.17 -7.72 53.66 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.411 0.684 . . . . 0.0 112.096 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 -23.82 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 O-C-N 121.894 -0.504 . . . . 0.0 110.37 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.6 t80 -62.48 -34.19 76.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.462 1.028 . . . . 0.0 110.546 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.89 -14.61 61.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -93.78 -24.45 17.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.719 0.408 . . . . 0.0 110.228 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -72.16 -51.47 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.8 mm-40 -73.8 5.75 3.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.605 -176.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -16.92 62.01 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 119.458 -0.306 . . . . 0.0 111.185 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.04 0.74 Allowed Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.34 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.46 -171.19 2.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.893 0.847 . . . . 0.0 111.029 -174.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -138.58 171.29 14.58 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.85 0.46 . . . . 0.0 110.117 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.06 148.5 21.53 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 123.114 0.566 . . . . 0.0 112.196 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.45 162.61 33.21 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 124.259 3.306 . . . . 0.0 111.818 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.555 175.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.716 -2.984 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.365 -3.335 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.33 -3.37 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.171 2.971 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C4'-C3'-C2' 98.436 -4.264 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.523 -3.177 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.803 3.603 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.72 -3.98 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.448 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 N19-C1'-C2' 108.431 -3.106 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 100.289 -2.411 . 0.104 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.448 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C5'-C4'-C3' 111.397 -2.735 . 0.104 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.431 ' C8 ' HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 111.017 -2.989 OUTLIER-DELTA 0.033 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.81 3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.92 -3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.27 -3.43 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 98.903 -3.797 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.321 -3.379 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.649 -3.051 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.814 -2.886 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.167 -3.533 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.665 -3.035 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.1 ttp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.72 136.18 33.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.32 147.23 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -142.11 162.99 34.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 82.3 m -125.79 140.01 53.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.489 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -144.45 176.67 9.2 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.018 0.927 . . . . 0.0 110.602 -173.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.88 164.43 30.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -46.87 126.55 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.199 0.6 . . . . 0.0 111.161 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.03 -10.67 63.98 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.497 0.57 . . . . 0.0 112.716 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.88 170.39 16.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.144 0.972 . . . . 0.0 111.615 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.3 m -142.6 164.23 30.67 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.194 0.521 . . . . 0.0 111.516 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.489 HG12 HH21 ' C' ' 6' ' ' ARG . 36.0 mm -138.21 165.67 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.82 1.648 . . . . 0.0 107.321 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -137.26 148.56 46.51 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.71 0.686 . . . . 0.0 111.333 -173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -141.75 147.3 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.27 1.028 . . . . 0.0 109.824 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.24 46.25 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -130.72 5.83 4.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.243 0.617 . . . . 0.0 110.061 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.19 13.05 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.255 0.622 . . . . 0.0 111.678 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.52 138.63 51.7 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-O 121.469 0.652 . . . . 0.0 110.344 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -144.76 151.22 38.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -133.07 149.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -142.84 150.51 40.01 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 122.205 0.202 . . . . 0.0 111.02 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.443 HG21 ' HD3' ' C' ' 6' ' ' ARG . 4.6 tp -104.35 138.08 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 mt -110.65 -22.03 11.81 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.88 -170.27 34.76 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 172.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.75 160.85 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -147.16 54.24 1.08 Allowed 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.79 -127.49 10.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -176.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.72 -11.85 59.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.838 0.319 . . . . 0.0 110.729 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.26 163.36 12.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.028 0.376 . . . . 0.0 110.436 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.09 150.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 C-N-CA 123.83 0.852 . . . . 0.0 109.721 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 116.45 21.52 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.56 1.144 . . . . 0.0 108.493 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.6 161.92 33.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 124.433 1.093 . . . . 0.0 110.569 -174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.53 168.39 24.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.0 144.35 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 123.632 0.773 . . . . 0.0 108.966 -176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -125.54 75.57 1.49 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.657 1.183 . . . . 0.0 109.003 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.09 72.24 Favored Pre-proline 0 N--CA 1.454 -0.233 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.92 154.48 33.65 Favored 'Trans proline' 0 N--CA 1.444 -1.405 0 C-N-CA 122.54 2.16 . . . . 0.0 109.201 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.61 -0.81 9.41 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.907 -0.496 . . . . 0.0 110.569 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -69.41 -12.99 62.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.899 0.48 . . . . 0.0 109.905 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -128.46 144.6 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.42 0.629 . . . . 0.0 110.09 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 143.75 54.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.839 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 81.1 t -147.6 114.52 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -148.75 166.87 27.13 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.457 0.473 . . . . 0.0 111.205 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.05 147.62 53.06 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.33 1.052 . . . . 0.0 109.156 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.44 -21.32 66.64 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.652 -0.655 . . . . 0.0 110.571 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.25 -8.22 54.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.656 1.183 . . . . 0.0 112.082 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.02 -22.49 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 122.845 0.458 . . . . 0.0 110.73 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 70.1 t80 -62.53 -33.28 74.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.469 1.032 . . . . 0.0 110.234 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.97 -13.95 61.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -93.55 -28.53 16.0 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.48 HG22 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -68.67 -48.73 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.48 HE21 HG22 ' C' ' 51' ' ' ILE . 83.9 mm-40 -76.32 5.19 7.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.783 0.433 . . . . 0.0 111.643 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -18.25 61.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.94 1.07 Allowed Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.906 -0.385 . . . . 0.0 112.18 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.36 -172.48 3.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.647 0.779 . . . . 0.0 110.586 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 68.4 p -139.64 172.71 12.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.86 156.01 13.85 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 123.661 0.784 . . . . 0.0 112.151 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.95 -168.14 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.092 3.194 . . . . 0.0 111.592 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 124.154 0.982 . . . . 0.0 109.207 -175.133 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.592 -3.108 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.22 -3.48 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.078 -3.622 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.564 -3.136 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C4'-C3'-C2' 98.569 -4.131 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 98.966 -3.734 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.651 3.451 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 O4'-C1'-N19 112.072 3.872 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . 0.475 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.143 2.943 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 N19-C1'-C2' 109.178 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.807 -2.462 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.456 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-C3' 110.369 -3.421 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.507 " H1'" HD13 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C5'-C4'-C3' 109.138 -4.241 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 P-O3'-C3' 124.513 4.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C4'-C3'-C2' 99.343 -3.357 . 0.554 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 98.912 -3.788 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.58 -3.12 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.665 -3.035 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.807 -2.893 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.226 -3.474 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.754 -2.946 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 ttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 132.09 48.58 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.27 148.66 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.13 164.18 31.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.5 m -128.37 136.3 50.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -142.36 173.62 11.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.04 0.936 . . . . 0.0 109.273 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.13 164.19 30.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.12 118.61 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.193 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.02 0.74 27.0 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.41 -0.661 . . . . 0.0 113.181 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -110.86 178.8 4.24 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.359 1.079 . . . . 0.0 110.891 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -147.02 168.69 20.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.375 -173.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -135.63 162.1 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.345 1.858 . . . . 0.0 107.1 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -143.25 149.17 37.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.735 0.698 . . . . 0.0 111.113 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.47 142.96 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.096 0 C-N-CA 123.694 0.797 . . . . 0.0 109.469 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 -134.79 52.27 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.12 6.51 4.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.453 0.701 . . . . 0.0 110.524 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -141.73 8.83 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.3 139.23 51.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-N 119.293 0.951 . . . . 0.0 110.995 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -140.93 149.12 41.46 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -131.69 149.89 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -141.91 151.95 43.11 Favored 'General case' 0 N--CA 1.46 0.064 0 CA-C-O 120.678 0.275 . . . . 0.0 110.765 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -109.48 92.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 108.837 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -25.65 65.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.895 -175.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 178.51 41.46 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 121.182 0.323 . . . . 0.0 112.869 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.32 142.73 20.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.556 0.742 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -151.0 124.44 8.94 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.31 -138.75 21.98 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -80.26 13.49 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.335 0.654 . . . . 0.0 111.025 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.72 164.22 15.7 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 121.643 0.735 . . . . 0.0 111.271 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -146.53 141.46 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.13 0.972 . . . . 0.0 109.308 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 119.5 35.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -137.39 161.22 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 122.769 0.428 . . . . 0.0 111.555 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.69 159.31 20.16 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -135.9 136.48 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -131.71 69.46 1.48 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.975 0.893 . . . . 0.0 109.551 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 158.12 38.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 113.834 -1.53 . . . . 0.0 107.518 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.51 153.76 30.88 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.614 2.209 . . . . 0.0 108.891 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.16 -0.57 10.03 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.976 -0.452 . . . . 0.0 110.985 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.39 -12.98 61.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.38 144.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-O 121.759 0.79 . . . . 0.0 110.045 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.64 146.07 50.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.368 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -146.71 112.22 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -150.34 165.61 32.53 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.752 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -71.01 152.98 43.01 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.199 0.599 . . . . 0.0 110.272 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.85 -35.0 79.7 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 118.107 0.412 . . . . 0.0 111.205 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.06 -8.97 6.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.566 0.746 . . . . 0.0 112.443 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.01 -25.57 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 O-C-N 121.826 -0.546 . . . . 0.0 111.166 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.3 t80 -63.91 -34.99 79.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.111 -0.993 . . . . 0.0 110.205 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -73.04 -14.44 61.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.29 -25.86 17.57 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.5 mt -72.66 -51.67 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.9 mm-40 -73.88 5.54 4.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.449 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -17.58 63.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 119.764 -0.16 . . . . 0.0 110.686 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.54 15.38 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.884 -0.398 . . . . 0.0 112.585 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -139.58 -171.75 3.21 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.516 0.658 . . . . 0.0 111.294 -173.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.4 p -139.96 179.95 6.31 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.306 0.642 . . . . 0.0 109.404 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.59 144.01 7.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.67 -1.84 10.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 125.098 3.865 . . . . 0.0 113.592 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.365 -3.335 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.242 -3.458 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 111.118 2.918 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.888 -3.812 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 98.923 -3.777 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 99.462 -3.238 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 99.366 -3.334 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.057 -3.643 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 100.016 -2.684 . 0.549 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.453 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 1 O4'-C1'-N19 112.716 4.516 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.429 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.479 3.279 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.432 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 C5'-C4'-C3' 108.184 -4.878 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 124.509 4.008 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.045 -3.655 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 C4'-C3'-C2' 98.684 -4.016 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.468 -3.232 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.966 -2.734 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.676 -3.024 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.11 -3.59 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.237 3.037 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.37 33.51 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.31 138.97 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 O-C-N 121.758 -0.589 . . . . 0.0 109.896 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.23 161.47 29.25 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.3 1.04 . . . . 0.0 108.618 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -128.49 78.15 1.82 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.591 HH21 HG12 ' C' ' 12' ' ' ILE . 0.7 OUTLIER -80.31 173.91 12.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.417 -174.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -135.9 157.96 45.56 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.87 126.26 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.59 -12.07 61.29 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.394 0.521 . . . . 0.0 112.249 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.38 164.82 25.7 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.56 0.68 . . . . 0.0 110.887 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -146.44 156.04 43.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.048 0.539 . . . . 0.0 110.097 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.591 HG12 HH21 ' C' ' 6' ' ' ARG . 39.3 mm -132.52 164.69 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -137.24 146.45 44.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.886 -0.509 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -139.42 144.88 28.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.591 0.756 . . . . 0.0 109.523 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -135.63 51.61 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -130.08 5.32 4.91 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.261 0.624 . . . . 0.0 110.482 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -144.7 12.49 1.48 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.053 0.541 . . . . 0.0 112.438 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -129.2 138.53 54.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.754 0.706 . . . . 0.0 110.249 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -144.34 149.48 36.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -133.17 150.76 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.56 0.744 . . . . 0.0 109.496 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.1 m -143.2 154.53 43.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 117.892 0.315 . . . . 0.0 111.048 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.436 HG21 ' HD3' ' C' ' 6' ' ' ARG . 3.7 tp -109.46 100.21 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 41.5 mt -68.19 -29.24 68.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.12 -177.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.24 -168.75 38.1 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.86 164.58 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.109 0.563 . . . . 0.0 110.067 -177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -148.67 60.13 1.07 Allowed 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.44 -132.91 17.04 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -66.51 -6.65 15.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.785 0.434 . . . . 0.0 110.985 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -98.45 165.82 11.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 110.511 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.86 142.17 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.085 0.954 . . . . 0.0 109.199 -171.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.99 113.99 20.34 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -135.38 156.85 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.057 0.543 . . . . 0.0 110.597 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.44 165.76 22.56 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.69 141.78 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -132.6 74.7 1.59 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 122.281 1.039 . . . . 0.0 108.774 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 158.32 54.64 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.027 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.92 147.96 69.43 Favored 'Trans proline' 0 N--CA 1.441 -1.604 0 C-N-CA 121.867 1.711 . . . . 0.0 108.487 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.31 -1.58 6.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 110.275 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -79.89 -12.62 59.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.249 1.02 . . . . 0.0 111.616 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.33 144.86 26.54 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-O 121.568 0.699 . . . . 0.0 110.532 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.8 54.65 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.562 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.35 116.78 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.453 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 26.0 m-70 -146.57 -177.63 5.74 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.941 0.896 . . . . 0.0 110.198 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.11 23.35 Favored 'General case' 0 N--CA 1.462 0.139 0 O-C-N 122.387 -0.196 . . . . 0.0 111.175 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.44 -24.05 64.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.82 -14.02 62.2 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.851 0.46 . . . . 0.0 110.795 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.04 -23.67 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 122.02 -0.425 . . . . 0.0 111.616 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.7 t80 -62.67 -32.25 73.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 119.638 1.108 . . . . 0.0 110.546 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.83 -11.78 60.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -93.44 -31.28 14.66 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.582 HG22 HE21 ' C' ' 52' ' ' GLN . 96.1 mt -67.95 -47.78 77.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.582 HE21 HG22 ' C' ' 51' ' ' ILE . 74.0 mm-40 -76.89 5.36 8.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 -16.14 61.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.988 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.99 18.24 1.73 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.453 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.13 -172.88 3.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.664 0.732 . . . . 0.0 110.946 -173.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.358 0.663 . . . . 0.0 109.756 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 146.43 45.6 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 122.581 0.352 . . . . 0.0 111.742 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 167.06 20.59 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.097 3.198 . . . . 0.0 111.35 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.821 176.619 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.65 -3.05 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.366 -3.334 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.518 -3.182 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.354 -3.346 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.899 -3.801 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 110.728 2.528 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.256 -3.444 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 112.104 3.904 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 N19-C1'-C2' 108.667 -2.958 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 110.866 2.666 . 0.183 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 110.846 -3.102 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.479 ' C2 ' " H1'" ' D' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C5'-C4'-C3' 110.309 -3.461 . 0.044 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.479 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.715 -2.985 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.025 -3.675 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.292 -3.408 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.635 -3.065 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.652 -3.048 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.221 -3.479 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.418 -3.282 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 134.37 34.47 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.85 147.96 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.17 164.14 30.98 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.4 m -121.07 140.85 51.39 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -144.92 170.8 15.45 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 157.97 45.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.3 118.01 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.034 0.534 . . . . 0.0 111.223 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 -17.97 32.71 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.527 0.584 . . . . 0.0 112.265 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.39 178.15 7.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.748 0.774 . . . . 0.0 111.143 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -139.41 171.79 13.75 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -171.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -139.65 163.75 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.707 2.003 . . . . 0.0 105.979 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -137.73 151.98 48.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.579 -0.7 . . . . 0.0 111.945 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.25 149.68 20.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.43 1.092 . . . . 0.0 109.322 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.22 -141.19 30.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.46 5.24 9.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.09 0.556 . . . . 0.0 110.61 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -148.23 14.0 0.99 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.211 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.9 146.32 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 119.151 0.887 . . . . 0.0 111.481 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -143.69 150.05 38.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.295 1.038 . . . . 0.0 108.623 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -132.43 149.71 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 m -142.08 150.98 41.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.185 0.448 . . . . 0.0 110.913 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.4 93.56 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.26 -25.08 64.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.469 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.47 -171.07 38.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.189 -0.364 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.97 155.56 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.0 m -143.28 60.0 1.4 Allowed 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.851 0.86 . . . . 0.0 109.126 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -130.86 13.72 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.26 -9.46 47.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 122.398 -0.472 . . . . 0.0 110.815 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.27 161.8 13.51 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.271 0.487 . . . . 0.0 110.311 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -142.08 147.41 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.419 0.688 . . . . 0.0 110.492 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -119.07 116.07 25.63 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.814 1.246 . . . . 0.0 108.307 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 pt -137.69 157.39 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 123.603 0.761 . . . . 0.0 110.186 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.98 168.31 23.72 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.16 136.12 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -128.55 74.26 1.55 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 122.027 0.918 . . . . 0.0 109.449 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.57 159.22 44.84 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.236 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.9 153.22 58.35 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.043 1.829 . . . . 0.0 108.394 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -71.88 -0.75 12.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.979 -0.45 . . . . 0.0 110.43 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.41 -13.0 61.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.744 0.818 . . . . 0.0 110.283 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.33 144.69 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.772 0.796 . . . . 0.0 110.9 172.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 143.97 52.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -148.3 115.27 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -148.44 168.22 23.25 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.46 0.704 . . . . 0.0 111.29 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 4.3 ptm180 -71.95 155.65 40.12 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.331 1.053 . . . . 0.0 109.832 173.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.16 -23.25 64.85 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.843 -0.536 . . . . 0.0 110.947 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 58.1 tt0 -71.51 -11.43 60.87 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.144 0.977 . . . . 0.0 112.131 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.42 -23.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 121.947 -0.471 . . . . 0.0 111.136 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -62.28 -32.6 73.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 119.556 1.071 . . . . 0.0 110.302 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -75.31 -14.11 60.47 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.565 0.346 . . . . 0.0 110.84 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -94.11 -26.57 16.67 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.7 mt -70.39 -50.42 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.6 mm-40 -74.61 5.5 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.848 -177.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.86 61.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 122.376 -0.202 . . . . 0.0 111.132 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.62 15.73 0.64 Allowed Glycine 0 C--N 1.34 0.753 0 CA-C-O 119.692 -0.505 . . . . 0.0 112.31 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.85 -170.12 2.7 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.72 0.808 . . . . 0.0 110.843 -175.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 p -139.63 169.43 17.76 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.427 0.291 . . . . 0.0 110.432 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 155.84 10.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.601 0.76 . . . . 0.0 112.079 -178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.86 -174.83 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 124.268 3.312 . . . . 0.0 112.327 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.241 -174.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 99.118 -3.582 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 111.236 3.036 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 98.865 -3.835 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 98.916 -3.784 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.747 3.547 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 O4'-C1'-N19 111.52 3.32 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.437 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 C4'-C3'-C2' 99.254 -3.446 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.851 -2.849 . 0.301 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.502 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 111.187 -2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C5'-C4'-C3' 111.725 -2.516 . 0.176 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.426 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.836 -3.109 OUTLIER-DELTA 0.025 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.493 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.596 1 C5'-C4'-C3' 108.489 -4.674 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 P-O3'-C3' 124.494 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.175 -3.525 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.827 -3.873 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.4 -3.3 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.968 -2.732 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.634 -3.066 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.873 -3.827 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.211 3.011 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.7 tmm? . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.68 131.2 40.74 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.414 HD13 ' C8 ' ' D' ' 29' ' ' ' A' . 2.8 mp -119.73 150.33 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 124.012 0.925 . . . . 0.0 108.855 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -142.75 159.27 42.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.5 m -131.73 116.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -140.95 173.63 11.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -107.7 159.37 16.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.7 m -60.02 131.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.53 -7.38 30.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.28 -177.88 3.57 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.064 0.932 . . . . 0.0 111.347 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -143.16 168.86 18.76 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.929 0.491 . . . . 0.0 111.905 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.64 164.52 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 107.062 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -138.98 146.07 40.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.927 0.785 . . . . 0.0 111.278 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -140.38 149.03 21.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 123.79 0.836 . . . . 0.0 109.945 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.57 -136.51 49.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -130.06 5.55 4.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.192 0.597 . . . . 0.0 110.419 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.86 14.21 1.52 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.216 0.606 . . . . 0.0 111.661 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 70.7 mt -130.89 137.97 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.666 0.666 . . . . 0.0 110.597 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -145.08 149.83 35.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -132.71 151.04 33.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -139.22 149.04 43.9 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.5 101.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.493 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 36.6 mt -67.89 -35.25 78.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.784 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.504 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.84 177.98 29.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 114.401 0.52 . . . . 0.0 114.401 170.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.448 HG13 HG11 ' C' ' 8' ' ' VAL . 14.7 m -75.79 161.9 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.9 0.88 . . . . 0.0 111.199 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -150.75 45.03 0.85 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.33 -134.54 14.9 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -174.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.33 -7.55 38.26 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 117.116 0.458 . . . . 0.0 110.056 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.91 167.1 10.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.036 0.535 . . . . 0.0 109.836 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -145.31 149.26 16.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.088 0 C-N-CA 123.67 0.788 . . . . 0.0 110.188 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 121.17 37.85 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 pt -135.4 156.73 39.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 110.656 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.17 166.74 24.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.05 144.13 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.795 0.838 . . . . 0.0 109.02 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -128.01 75.89 1.65 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.498 1.119 . . . . 0.0 108.887 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.25 157.39 77.65 Favored Pre-proline 0 N--CA 1.453 -0.304 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.454 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.51 155.11 35.96 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 123.022 2.481 . . . . 0.0 108.848 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -69.95 -0.41 7.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -12.02 61.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.274 0.629 . . . . 0.0 109.993 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.84 144.43 37.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-O 121.373 0.606 . . . . 0.0 109.893 171.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.7 143.52 49.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.706 -175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.7 t -147.29 112.28 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.502 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 46.3 m-70 -146.2 -179.74 6.94 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.198 0.999 . . . . 0.0 110.401 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.47 153.96 22.05 Favored 'General case' 0 CA--C 1.523 -0.095 0 O-C-N 122.197 -0.314 . . . . 0.0 111.109 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.32 -23.61 64.36 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.47 -15.94 63.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.669 0.388 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.98 -27.07 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 122.9 0.48 . . . . 0.0 111.838 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 63.0 t80 -62.56 -32.7 73.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.455 -0.778 . . . . 0.0 110.859 -176.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -72.31 -12.73 61.27 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -29.91 15.17 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.001 0.52 . . . . 0.0 110.121 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.457 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.9 mt -68.94 -48.67 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' C' ' 48' ' ' TYR . 85.2 mm-40 -75.1 5.53 5.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.193 -177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.23 60.7 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.292 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 18.72 1.1 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.001 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.413 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.35 -172.42 3.42 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.599 0.76 . . . . 0.0 110.946 -174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -140.27 171.89 13.52 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 111.07 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 154.9 27.45 Favored Pre-proline 0 C--O 1.234 0.272 0 C-N-CA 123.396 0.678 . . . . 0.0 112.224 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.55 -164.25 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 124.255 3.303 . . . . 0.0 111.106 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.102 0.961 . . . . 0.0 109.306 -174.643 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.762 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.35 -3.35 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.149 -3.551 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.414 3.214 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.717 -3.983 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.117 -3.583 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 111.759 3.559 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.673 3.473 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 108.009 -3.37 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.748 -2.952 . 0.526 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.443 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C5'-C4'-C3' 110.963 -3.025 . 0.16 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.428 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.692 3.492 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.401 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.545 3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 98.735 -3.965 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.258 -3.442 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C4'-C3'-C2' 99.01 -3.69 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.547 -3.153 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.562 -3.138 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C4'-C3'-C2' 99.447 -3.253 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.336 -3.364 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.458 -3.242 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -81.82 139.03 34.99 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.26 138.54 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -137.05 163.37 30.92 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -128.14 136.65 51.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -146.14 175.97 10.09 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.186 0.994 . . . . 0.0 109.407 -173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 43.9 mttt -130.12 163.05 27.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' HA2' ' A' ' 24' ' ' GLY . 73.3 t -51.12 114.8 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.55 12.21 19.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.648 -0.529 . . . . 0.0 112.778 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -122.88 175.54 6.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.984 0.892 . . . . 0.0 110.532 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -139.85 171.39 14.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -169.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.07 161.55 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 105.739 -1.948 . . . . 0.0 105.739 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -134.85 150.35 50.46 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.982 -0.449 . . . . 0.0 110.712 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 mt -144.41 149.07 17.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.2 0.6 . . . . 0.0 109.427 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.57 -137.14 46.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -130.23 6.19 4.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.817 0.847 . . . . 0.0 111.163 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -144.35 13.15 1.58 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.377 0.671 . . . . 0.0 112.083 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -126.5 140.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.065 0.848 . . . . 0.0 110.784 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -143.56 148.09 35.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mm -132.72 150.48 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -142.69 152.45 42.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.61 97.4 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.516 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.9 mt -75.92 -24.54 55.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.061 -171.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.72 -176.76 41.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -142.54 158.14 19.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 122.938 0.495 . . . . 0.0 110.871 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -146.26 60.54 1.23 Allowed 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.451 1.1 . . . . 0.0 108.867 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 -118.8 9.98 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -70.31 -5.38 27.47 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.989 0.516 . . . . 0.0 111.488 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.06 164.45 18.56 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.685 -0.634 . . . . 0.0 110.4 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.66 151.55 13.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 C-N-CA 123.066 0.546 . . . . 0.0 111.048 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -117.93 123.09 44.97 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -130.88 156.43 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.205 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 163.95 22.41 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.98 140.45 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -132.83 74.62 1.58 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.361 1.077 . . . . 0.0 108.847 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.67 160.1 41.54 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 125.847 1.659 . . . . 0.0 107.473 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.09 147.99 74.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.565 1.51 . . . . 0.0 108.553 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 -0.95 7.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 110.435 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.73 -13.2 59.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.992 0.917 . . . . 0.0 111.128 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.7 m -118.46 144.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 CA-C-N 118.762 0.71 . . . . 0.0 110.505 173.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.47 53.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.277 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 81.2 t -148.0 118.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -147.31 -175.8 4.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.643 0.777 . . . . 0.0 109.897 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -113.56 155.18 25.87 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.096 0.158 . . . . 0.0 111.39 177.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -61.32 -23.75 65.95 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 39.6 tt0 -67.42 -13.15 61.76 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.806 0.442 . . . . 0.0 110.571 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.5 -24.68 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.781 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.81 -32.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 119.412 1.005 . . . . 0.0 110.617 -176.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.65 -12.84 60.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.94 -28.14 15.97 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.96 0.504 . . . . 0.0 110.017 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.1 mt -70.16 -51.29 40.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' A' ' 51' ' ' ILE . 80.6 mm-40 -74.26 5.61 4.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.69 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.72 61.89 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.383 -0.198 . . . . 0.0 111.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.1 15.39 0.7 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.696 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -138.37 -171.6 3.08 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.649 0.725 . . . . 0.0 111.076 -174.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -138.96 172.17 13.24 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.102 0.561 . . . . 0.0 110.193 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.08 149.19 19.18 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.275 0.63 . . . . 0.0 112.032 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.02 -169.06 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.354 3.369 . . . . 0.0 111.142 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.379 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.335 -3.365 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.385 -3.315 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.242 -3.458 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.179 2.979 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 C4'-C3'-C2' 98.601 -4.099 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.45 -3.25 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 111.741 3.541 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.224 4.024 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.48 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 N19-C1'-C2' 108.814 -2.866 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C4'-C3'-C2' 100.177 -2.523 . 0.16 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.48 ' C8 ' " H2'" ' B' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.365 -2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.533 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.033 -2.978 . 0.083 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.41 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.518 3.318 OUTLIER-DELTA 0.021 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.588 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C4'-C3'-C2' 98.895 -3.805 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.439 -3.261 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.242 -3.458 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.758 -2.942 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.539 -3.161 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.343 -3.357 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.68 -3.02 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.85 135.68 33.92 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.402 ' O ' HD22 ' C' ' 4' ' ' LEU . 2.4 mp -120.36 142.58 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 C-N-CA 123.295 0.638 . . . . 0.0 110.027 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.402 HD22 ' O ' ' C' ' 3' ' ' ILE . 4.6 mm? -127.33 168.82 14.27 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 90.2 m -128.13 133.96 49.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -140.37 170.52 15.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -170.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -130.81 149.64 52.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.539 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 25.4 m -61.93 116.39 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.929 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 6.85 12.06 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.199 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -122.03 -176.18 3.28 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.261 1.031 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -144.69 172.7 12.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -136.65 162.95 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 126.61 1.964 . . . . 0.0 106.978 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -140.28 149.35 42.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.023 0.829 . . . . 0.0 111.976 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.03 147.58 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.002 0.921 . . . . 0.0 109.917 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.28 -136.63 50.39 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.35 5.69 4.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.61 0.764 . . . . 0.0 110.137 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -144.56 12.9 1.53 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.312 0.645 . . . . 0.0 112.069 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 74.7 mt -130.77 138.32 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 118.911 0.778 . . . . 0.0 110.197 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -144.95 149.29 34.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -132.21 149.75 32.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -173.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -137.87 147.65 44.65 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 117.576 0.171 . . . . 0.0 110.595 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -109.48 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -69.06 -31.7 70.65 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.5 -167.55 33.04 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 121.334 0.408 . . . . 0.0 113.161 173.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.97 156.35 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.854 0.861 . . . . 0.0 109.973 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.1 t -146.71 64.47 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.83 -133.65 17.5 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -67.45 -11.54 58.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.432 -0.452 . . . . 0.0 110.773 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 24.0 mt-30 -99.11 166.09 11.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.335 0.588 . . . . 0.0 111.167 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.49 149.28 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.085 0.954 . . . . 0.0 110.106 -175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.527 1.131 . . . . 0.0 108.061 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 pt -136.0 159.0 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.71 0.804 . . . . 0.0 110.3 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 164.85 24.94 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.54 143.64 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -127.64 76.0 1.64 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.236 1.015 . . . . 0.0 109.291 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.41 156.46 72.72 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.66 152.1 42.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.405 2.07 . . . . 0.0 108.337 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -69.08 0.31 4.82 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 117.851 0.296 . . . . 0.0 111.39 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.44 -14.61 62.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -130.64 144.9 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.439 0.696 . . . . 0.0 109.142 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.74 155.17 24.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 2' ' ' LEU . 1.6 p -150.92 127.35 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 168.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.407 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 33.7 m-70 -149.52 166.43 29.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.355 1.062 . . . . 0.0 110.615 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -65.87 151.3 47.02 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.038 0.935 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.28 -23.44 65.67 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.888 -0.508 . . . . 0.0 111.774 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.42 -9.92 58.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.529 . . . . 0.0 111.851 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -133.74 -22.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.069 0 C-N-CA 122.791 0.436 . . . . 0.0 110.878 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 75.3 t80 -62.8 -34.24 76.86 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.965 -1.084 . . . . 0.0 110.215 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -73.62 -13.02 60.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -93.76 -29.1 15.55 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.648 HG22 HE21 ' C' ' 52' ' ' GLN . 96.7 mt -69.21 -48.68 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.648 HE21 HG22 ' C' ' 51' ' ' ILE . 68.8 mm-40 -75.99 5.22 6.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.413 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -18.54 61.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.83 0.286 . . . . 0.0 111.312 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.08 18.05 1.56 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.454 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.5 pp -140.06 -172.9 3.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.35 0.66 . . . . 0.0 111.072 -173.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -140.79 167.76 21.41 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 122.959 0.504 . . . . 0.0 110.078 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.86 151.4 64.18 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.92 166.59 24.89 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.274 3.316 . . . . 0.0 110.605 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.239 176.222 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.847 -2.853 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.32 -3.38 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.374 -3.326 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.333 3.133 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 C4'-C3'-C2' 98.696 -4.004 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.768 -2.932 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.547 3.347 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.652 3.452 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.008 -3.661 . 0.839 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.681 -3.019 . 0.313 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.435 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.92 -3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 110.898 -3.068 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.435 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.571 3.371 OUTLIER-DELTA 0.015 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.516 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 109.354 -4.097 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.416 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.152 2 P-O3'-C3' 124.751 4.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.868 -2.832 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.052 -3.648 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.344 -3.356 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.731 -2.969 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.893 -2.807 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.101 -3.599 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.184 2.984 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.26 136.72 33.26 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -176.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.1 141.48 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.327 0.651 . . . . 0.0 109.546 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.93 166.56 18.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.655 1.182 . . . . 0.0 108.823 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 m -127.72 135.11 49.72 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -144.4 173.18 12.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -135.21 159.43 41.56 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 118.081 0.4 . . . . 0.0 109.938 176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.423 HG13 ' HA2' ' A' ' 24' ' ' GLY . 87.7 t -52.0 115.61 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.202 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.64 9.01 27.59 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.79 -0.45 . . . . 0.0 112.823 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -120.96 177.09 5.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.573 0.687 . . . . 0.0 110.178 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 45' ' ' GLU . 74.8 m -145.79 169.0 19.41 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -171.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 13' ' ' ASN . 38.4 mm -136.88 165.72 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 126.715 2.006 . . . . 0.0 107.915 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 12' ' ' ILE . 7.4 t-20 -134.69 148.71 50.38 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.405 0.548 . . . . 0.0 111.757 -173.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.06 147.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 C-N-CA 123.732 0.813 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.81 51.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -130.37 5.67 4.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.121 0.568 . . . . 0.0 110.643 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -145.09 4.18 1.07 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 141.26 36.29 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.316 0.962 . . . . 0.0 110.878 -177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 149.04 42.67 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mm -129.21 149.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -139.57 149.12 43.48 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 117.778 0.263 . . . . 0.0 111.527 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.71 95.43 3.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 mt -72.0 -24.48 61.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.613 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.38 -175.26 41.19 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 121.168 0.316 . . . . 0.0 113.082 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.78 158.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.316 0.647 . . . . 0.0 109.571 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -148.17 53.71 1.02 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.36 -128.17 10.4 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.19 -9.34 55.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.885 0.342 . . . . 0.0 110.687 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.24 162.57 13.13 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -144.89 145.97 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.639 0.776 . . . . 0.0 110.009 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.05 117.95 31.06 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -138.23 156.7 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.112 0.565 . . . . 0.0 110.223 -174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 164.7 22.65 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.48 138.57 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -133.06 51.58 2.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.72 159.81 57.23 Favored Pre-proline 0 N--CA 1.453 -0.301 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.98 149.65 72.07 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.617 1.544 . . . . 0.0 108.39 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.82 -1.1 8.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.179 -0.326 . . . . 0.0 110.268 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -79.02 -11.27 60.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 173.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.24 146.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-O 121.48 0.657 . . . . 0.0 110.536 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.58 145.18 55.89 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.26 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.14 117.73 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -147.37 167.29 24.72 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.117 0.567 . . . . 0.0 111.403 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -71.71 157.06 38.61 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.075 1.35 . . . . 0.0 109.857 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.45 -26.29 59.95 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.48 3.57 21.1 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.694 0.679 . . . . 0.0 111.998 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.45 -27.02 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 122.037 -0.415 . . . . 0.0 110.573 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.5 t80 -62.43 -34.36 76.63 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.937 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -72.6 -14.83 61.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.813 0.445 . . . . 0.0 111.266 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.57 -25.55 17.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.335 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -71.66 -51.8 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.0 mm-40 -73.34 5.38 3.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.473 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.73 -17.35 62.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 119.914 -0.089 . . . . 0.0 110.764 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.07 14.08 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.708 -0.495 . . . . 0.0 112.454 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.48 -170.0 2.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.81 0.805 . . . . 0.0 111.128 -173.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -139.8 175.49 9.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.74 150.2 7.55 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.757 0.423 . . . . 0.0 111.395 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.12 -25.56 37.38 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.69 2.926 . . . . 0.0 112.594 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.512 0.196 . . . . 0.0 111.293 -178.13 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.674 -3.026 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.546 -3.154 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.133 -3.567 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.669 -3.031 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.637 -4.063 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.339 -3.361 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.737 3.537 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 O4'-C1'-N19 111.591 3.391 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.528 " H3'" HH22 ' C' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 108.344 -3.16 . 0.534 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 N19-C1'-C2' 109.067 -2.708 . 0.072 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.419 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 110.722 -3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-C3' 111.15 -2.9 . 0.099 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.419 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 110.579 -3.281 . 0.042 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.519 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.17 -4.887 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 P-O3'-C3' 124.289 3.824 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.24 -3.46 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 98.853 -3.847 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.464 -3.236 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.866 -2.834 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.018 2.818 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 98.946 -3.754 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 111.223 3.023 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.389 -0.339 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.14 132.37 36.66 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.447 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -120.31 149.25 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -143.91 167.66 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 81.9 m -122.49 140.89 52.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -144.99 172.99 12.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -137.76 159.99 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.412 HG13 ' HA2' ' C' ' 24' ' ' GLY . 95.7 t -52.19 114.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.173 0.589 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.29 11.44 25.6 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.504 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -122.76 177.63 5.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.934 0.867 . . . . 0.0 110.328 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -142.47 175.23 9.94 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -172.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.9 mm -139.6 164.99 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.59 1.956 . . . . 0.0 107.204 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 17.5 t-20 -138.05 150.5 46.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.954 0.797 . . . . 0.0 111.945 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -141.31 147.67 22.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.564 1.146 . . . . 0.0 109.546 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -137.84 43.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -130.19 6.64 4.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.345 0.658 . . . . 0.0 110.857 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -141.05 11.53 2.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.681 0.792 . . . . 0.0 112.363 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.18 137.47 57.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 CA-C-N 119.003 0.82 . . . . 0.0 110.149 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -143.01 150.55 39.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -133.21 149.23 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.8 m -140.57 152.12 45.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.134 0.425 . . . . 0.0 110.391 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.408 HG23 ' O ' ' C' ' 22' ' ' ILE . 0.1 OUTLIER -114.24 100.69 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.519 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 40.8 mt -75.87 -27.61 57.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.451 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.412 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 170.33 -175.66 44.19 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-O 121.625 0.57 . . . . 0.0 112.933 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.86 162.7 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.272 0.629 . . . . 0.0 109.896 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -150.71 56.49 0.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.54 -126.48 9.96 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -69.53 -10.61 58.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.399 0.28 . . . . 0.0 110.817 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.82 163.16 12.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 68.7 t -143.65 149.48 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.641 0.776 . . . . 0.0 109.389 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 118.35 28.75 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -137.1 156.62 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.78 165.63 22.82 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 98.8 mt -137.81 140.9 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 -175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -132.84 73.31 1.52 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.07 0.938 . . . . 0.0 109.151 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.88 159.44 42.67 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 113.819 -1.537 . . . . 0.0 108.428 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.12 153.38 51.75 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 122.329 2.02 . . . . 0.0 108.687 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -72.84 -0.76 14.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.696 0.284 . . . . 0.0 110.355 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.36 -12.81 61.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.488 0.715 . . . . 0.0 110.609 171.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.25 144.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.391 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 147.91 46.82 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.937 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.2 t -147.2 114.86 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.4 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 70.7 m-70 -151.93 167.11 29.41 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.32 0.648 . . . . 0.0 110.729 -177.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.528 HH22 " H3'" ' B' ' 25' ' ' ' A' . 6.4 ptp180 -74.4 162.52 28.77 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 11' ' ' SER . 6.8 mm-40 -70.45 -39.57 74.23 Favored 'General case' 0 N--CA 1.463 0.184 0 O-C-N 121.977 -0.452 . . . . 0.0 112.202 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -70.49 5.85 1.64 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -133.53 -27.13 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-N 118.157 0.435 . . . . 0.0 110.491 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 74.0 t80 -63.73 -33.37 75.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.774 -1.204 . . . . 0.0 109.715 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -75.29 -13.87 60.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.318 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -93.64 -28.1 16.18 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.532 HG22 HE21 ' C' ' 52' ' ' GLN . 97.2 mt -69.48 -48.45 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.532 HE21 HG22 ' C' ' 51' ' ' ILE . 83.1 mm-40 -75.53 5.52 5.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.304 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -18.03 60.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.74 17.41 1.06 Allowed Glycine 0 CA--C 1.526 0.77 0 CA-C-O 119.879 -0.401 . . . . 0.0 112.231 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.426 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.08 -172.3 3.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.871 0.868 . . . . 0.0 110.742 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -139.75 174.77 10.18 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.162 -0.336 . . . . 0.0 110.505 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.33 154.86 10.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.198 0.599 . . . . 0.0 111.486 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.85 -176.16 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.793 2.996 . . . . 0.0 112.537 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t0 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 124.12 0.968 . . . . 0.0 109.83 -173.075 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.456 -3.244 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.227 -3.473 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.797 -2.903 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.707 -3.993 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.641 -3.059 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.071 -3.629 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.958 -3.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . 0.412 " H2'" ' C8 ' ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.253 3.053 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.208 0 N19-C1'-C2' 109.576 -2.39 . 0.142 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.416 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.674 -2.55 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 110.951 -3.033 . 0.138 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.416 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 111.231 3.031 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.447 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.813 -3.887 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.392 -3.308 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.94 -3.76 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.331 -3.369 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 100.025 -2.675 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.689 -3.011 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.323 -3.377 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.229 3.029 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 138.3 33.0 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.51 150.24 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.449 0.699 . . . . 0.0 109.731 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -143.84 164.42 30.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.9 m -128.17 136.51 51.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -142.67 173.57 11.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -125.44 157.97 35.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 28.9 m -60.76 116.61 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.053 -175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 1.93 9.98 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.292 -0.727 . . . . 0.0 112.334 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -113.21 179.59 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.276 1.038 . . . . 0.0 111.314 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -142.67 173.42 11.56 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -140.98 163.83 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 126.79 2.036 . . . . 0.0 107.468 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -138.61 149.09 44.87 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.795 0.725 . . . . 0.0 111.579 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -143.43 148.09 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.794 0.837 . . . . 0.0 109.91 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -135.65 50.79 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -130.36 5.35 4.79 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.712 0.805 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -145.41 11.78 1.32 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -128.96 138.26 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 118.827 0.74 . . . . 0.0 110.807 -176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -142.37 148.07 37.28 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -131.22 151.32 35.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.6 m -141.04 151.11 43.79 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.677 0.275 . . . . 0.0 110.764 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.22 94.6 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.29 -30.62 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.16 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.97 -167.72 37.47 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-O 121.088 0.271 . . . . 0.0 113.335 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 155.44 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.244 0.618 . . . . 0.0 110.132 -173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -144.81 60.06 1.32 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.305 1.042 . . . . 0.0 108.281 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -131.58 13.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.811 -1.715 . . . . 0.0 108.811 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -69.91 -8.73 51.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.881 0.34 . . . . 0.0 110.842 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.74 161.74 13.74 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -144.79 146.83 19.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 123.649 0.78 . . . . 0.0 110.516 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -118.89 119.18 33.6 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 124.806 1.242 . . . . 0.0 108.233 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -134.8 156.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.939 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.28 164.33 22.28 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.7 mt -137.99 138.79 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -132.18 71.13 1.47 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 122.562 1.172 . . . . 0.0 108.966 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.73 157.98 41.6 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 113.537 -1.665 . . . . 0.0 107.883 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.88 148.42 64.25 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 121.795 1.664 . . . . 0.0 108.686 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -68.91 -0.76 5.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -80.63 -11.97 59.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.059 0.944 . . . . 0.0 111.493 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.36 145.0 26.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.817 0.735 . . . . 0.0 110.148 173.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.32 52.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.314 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -148.16 121.97 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 78.9 m-70 -148.85 -179.8 7.27 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.14 0.976 . . . . 0.0 110.649 -173.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 156.71 18.71 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.033 0.379 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.2 -23.92 66.91 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -171.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.14 -8.59 50.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.474 0.71 . . . . 0.0 110.397 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.459 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -130.89 -19.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -171.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -67.05 -30.96 71.17 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.453 -0.779 . . . . 0.0 109.557 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -68.3 -16.53 63.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.072 0.549 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 47' ' ' ILE . 54.1 mtt180 -81.98 -48.53 11.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.726 0.774 . . . . 0.0 109.406 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.625 HG22 HE21 ' A' ' 52' ' ' GLN . 68.7 mt -68.06 -54.45 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.086 -1.416 . . . . 0.0 111.971 -169.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 51' ' ' ILE . 90.9 mm-40 -83.32 11.72 6.36 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -173.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.98 61.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.898 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 13.03 0.51 Allowed Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.446 -0.641 . . . . 0.0 112.862 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.4 pp -137.94 -167.43 2.15 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.162 0.981 . . . . 0.0 111.052 -175.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.2 p -140.73 174.56 10.39 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.574 0.35 . . . . 0.0 110.15 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 149.51 7.29 Favored Pre-proline 0 C--O 1.234 0.267 0 C-N-CA 123.467 0.707 . . . . 0.0 112.208 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.31 167.51 22.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.147 3.231 . . . . 0.0 110.774 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.449 -0.496 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.862 173.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.615 -3.085 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.391 -3.309 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.169 2.969 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 1 C4'-C3'-C2' 98.275 -4.425 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.375 -3.325 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.819 3.619 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.444 3.244 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 110.637 -3.242 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.0 -2.7 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.449 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.564 -2.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 111.427 -2.716 . 0.072 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.449 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.443 -3.371 . 0.04 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.5 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 C5'-C4'-C3' 109.343 -4.105 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.505 4.004 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.372 -3.328 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 98.81 -3.89 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.36 -3.34 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.774 -2.926 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.795 -2.905 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.983 -3.717 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.196 2.996 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 131.54 43.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.427 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.6 mp -120.07 148.49 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -143.92 165.7 27.0 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -127.92 138.64 52.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.2 mmp_? -143.54 173.71 11.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.043 0.937 . . . . 0.0 109.275 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -132.44 163.12 29.48 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.401 HG13 ' HA2' ' C' ' 24' ' ' GLY . 99.5 t -50.6 114.73 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 122.22 0.208 . . . . 0.0 110.523 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.1 -12.78 26.56 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.404 -0.664 . . . . 0.0 112.667 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -89.5 175.19 7.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.25 1.025 . . . . 0.0 111.113 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -143.97 168.85 19.0 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -137.1 160.68 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 126.727 2.011 . . . . 0.0 106.914 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -138.49 151.04 47.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.323 0.51 . . . . 0.0 111.719 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.97 145.59 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.22 44.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -129.99 10.4 5.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 109.737 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -143.33 8.38 1.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -133.18 140.03 48.01 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 118.761 0.709 . . . . 0.0 110.775 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.5 m -142.29 147.67 36.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -130.85 150.83 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.5 m -142.95 152.62 42.19 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.913 0.324 . . . . 0.0 110.947 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -108.26 99.94 9.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.5 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 45.8 mt -77.77 -24.51 48.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.501 -170.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 166.42 -174.48 41.9 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.38 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.43 161.01 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.347 0.659 . . . . 0.0 109.829 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -148.83 54.33 0.99 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.26 -126.53 9.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -66.93 -13.88 62.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.89 0.345 . . . . 0.0 110.862 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -98.55 162.64 13.04 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.128 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.58 147.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 123.759 0.824 . . . . 0.0 109.994 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -118.46 126.85 52.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -134.77 158.92 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.013 1.325 . . . . 0.0 108.779 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.58 168.81 24.83 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.46 142.21 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.42 75.44 1.65 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.436 1.113 . . . . 0.0 108.742 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.72 159.89 67.49 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 113.356 -1.747 . . . . 0.0 108.237 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -76.39 155.74 36.71 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.379 2.053 . . . . 0.0 108.949 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.25 1.55 4.73 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.106 -0.371 . . . . 0.0 110.581 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.19 -20.33 66.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.115 0.566 . . . . 0.0 109.67 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.69 144.47 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.009 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.65 143.37 49.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.573 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 66.7 t -148.34 115.52 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -148.48 167.72 24.6 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 123.456 0.702 . . . . 0.0 110.442 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' C' ' 47' ' ' ILE . 7.3 ptm180 -68.48 147.73 51.6 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 123.202 0.601 . . . . 0.0 109.407 172.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -31.99 73.05 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.147 -0.346 . . . . 0.0 111.908 -175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -72.02 -0.75 12.4 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' C' ' 44' ' ' ARG . 2.6 mt -130.33 -23.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.833 0.453 . . . . 0.0 110.552 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 68.0 t80 -62.83 -32.94 74.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.235 -0.916 . . . . 0.0 110.105 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -72.34 -15.49 61.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 110.964 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.36 -27.2 16.9 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.454 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.8 mt -70.0 -50.11 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.5 mm-40 -74.91 5.46 5.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.693 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.91 61.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.283 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 16.72 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.784 -0.453 . . . . 0.0 112.102 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.435 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -138.54 -172.35 3.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.557 0.743 . . . . 0.0 110.65 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -139.1 173.03 11.98 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.705 0.402 . . . . 0.0 110.12 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 150.45 18.12 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 123.112 0.565 . . . . 0.0 111.709 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.13 166.49 28.94 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 124.195 3.264 . . . . 0.0 111.134 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.828 175.112 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.414 -3.286 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.44 -3.26 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C4'-C3'-C2' 99.645 -3.055 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.449 -4.251 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.748 -2.952 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 111.813 3.613 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.033 -3.667 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.193 -3.507 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.72 -2.98 . 0.265 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.488 ' N3 ' " H2'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.542 -2.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-C3' 111.306 -2.796 . 0.205 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.405 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.427 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 O4'-C1'-N19 111.371 3.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C4'-C3'-C2' 98.539 -4.161 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.386 -3.314 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.092 -3.608 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.604 -3.096 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.835 -2.865 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.523 -3.177 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.099 -3.601 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.338 3.138 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 132.15 35.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' CD1' " H4'" ' B' ' 30' ' ' ' C' . 2.6 mp -120.37 149.31 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -143.42 161.56 38.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.169 0.588 . . . . 0.0 109.507 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -128.87 125.2 37.13 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 6' ' ' ARG . 21.6 mmm180 -146.35 175.21 10.7 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -123.08 167.8 13.19 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.44 114.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.326 0.651 . . . . 0.0 110.476 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.08 20.92 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.464 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -85.1 173.09 10.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.281 1.041 . . . . 0.0 110.78 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -140.57 168.62 19.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.303 0.573 . . . . 0.0 112.048 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -133.3 163.03 38.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.389 1.875 . . . . 0.0 106.834 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -140.75 147.12 38.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.811 0.732 . . . . 0.0 111.291 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.96 145.56 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.857 0.863 . . . . 0.0 109.497 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -135.91 51.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.65 5.74 4.7 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 110.138 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -143.0 11.53 1.8 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.018 0.527 . . . . 0.0 112.357 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.2 mt -130.4 137.47 56.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.995 0.816 . . . . 0.0 110.461 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -143.52 148.85 36.62 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -134.59 151.47 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -142.58 153.08 43.2 Favored 'General case' 0 C--O 1.228 -0.035 0 CA-C-N 117.885 0.311 . . . . 0.0 110.541 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.56 96.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 20.2 mt -73.52 -28.15 61.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.697 -171.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.51 -172.96 44.33 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.884 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.18 155.0 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 123.803 0.841 . . . . 0.0 109.904 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -146.56 60.75 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.243 1.017 . . . . 0.0 108.682 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.86 -128.72 10.31 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -70.5 -10.61 59.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.666 0.233 . . . . 0.0 110.65 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -100.39 161.34 13.67 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.035 0.445 . . . . 0.0 110.089 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.6 t -148.96 148.53 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 C-N-CA 123.781 0.833 . . . . 0.0 109.742 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -120.1 130.98 54.9 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -136.1 156.25 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.898 1.279 . . . . 0.0 108.889 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 160.02 20.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.71 136.72 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -130.84 74.66 1.61 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 122.298 1.047 . . . . 0.0 109.294 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.27 158.88 47.45 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 113.594 -1.639 . . . . 0.0 107.862 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.3 148.26 67.65 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.043 1.829 . . . . 0.0 108.749 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.85 -2.14 8.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.351 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.82 -13.81 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.315 1.046 . . . . 0.0 111.206 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -119.09 144.9 26.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.58 0.705 . . . . 0.0 110.146 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.81 143.76 52.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.652 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.41 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 73.3 t -148.35 116.95 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -148.86 166.19 29.28 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.581 0.753 . . . . 0.0 110.293 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -70.83 149.18 47.09 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.792 0.837 . . . . 0.0 109.219 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.57 -25.19 65.67 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.746 -0.596 . . . . 0.0 110.602 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.42 -10.26 10.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.379 1.072 . . . . 0.0 111.643 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mt -138.03 -25.61 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -61.91 -34.5 76.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.385 0.993 . . . . 0.0 110.827 -175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.38 -13.8 61.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.611 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -94.18 -25.81 16.94 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.83 0.452 . . . . 0.0 109.939 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.0 mt -72.2 -51.48 29.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.468 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.5 mm-40 -73.55 5.6 3.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.356 0.662 . . . . 0.0 111.522 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.64 -18.33 62.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.911 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.88 15.89 0.7 Allowed Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.683 -0.51 . . . . 0.0 112.264 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -137.75 -172.17 3.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.568 0.747 . . . . 0.0 111.02 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.9 p -139.49 174.14 10.82 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.105 0.562 . . . . 0.0 110.04 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -51.22 140.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.066 0.547 . . . . 0.0 112.313 -174.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 87.0 Cg_exo -47.95 -44.95 26.29 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.506 3.471 . . . . 0.0 113.787 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 20.0 t70 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 127.516 2.326 . . . . 0.0 110.08 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.271 -3.429 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.409 -3.291 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.718 -2.982 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 1 C4'-C3'-C2' 98.309 -4.391 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.825 -2.875 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.947 3.747 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 98.85 -3.85 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.504 -3.196 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.961 -2.739 . 0.266 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.436 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 111.338 -2.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-C3' 111.069 -2.954 . 0.151 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.434 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.092 -2.939 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.426 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 98.776 -3.924 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.32 -3.38 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 98.78 -3.92 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.296 -3.404 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.795 -2.905 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.547 -3.153 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.077 -3.623 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.358 3.158 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttp . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.05 129.43 34.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 78.9 mt -120.91 150.53 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -144.68 170.88 15.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.7 m -127.97 136.13 50.89 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -144.56 173.34 11.9 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -133.4 159.55 40.0 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 118.101 0.41 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.457 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.8 t -51.66 116.13 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.247 0.619 . . . . 0.0 110.174 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.03 8.2 29.95 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.754 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -121.48 177.8 5.06 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.773 0.787 . . . . 0.0 109.869 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 2.9 p -150.18 170.94 17.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.415 HG22 ' N ' ' C' ' 13' ' ' ASN . 44.0 mm -132.09 165.67 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 126.686 1.994 . . . . 0.0 108.018 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.415 ' N ' HG22 ' C' ' 12' ' ' ILE . 11.3 t-20 -139.11 148.43 43.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.855 0.752 . . . . 0.0 111.602 -175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.1 142.74 31.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.861 0.864 . . . . 0.0 109.807 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -134.65 52.33 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.78 5.91 5.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -143.0 7.76 1.63 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.84 143.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 119.38 0.991 . . . . 0.0 111.042 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -144.02 147.75 34.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.64 149.43 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -140.23 150.66 44.4 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-N 118.191 0.45 . . . . 0.0 111.487 -173.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.49 91.91 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.18 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 mt -71.03 -23.89 62.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.16 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 167.49 -174.96 42.62 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 121.263 0.368 . . . . 0.0 113.093 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.1 158.27 43.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.547 0.739 . . . . 0.0 109.591 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -148.42 53.01 1.0 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.797 0.839 . . . . 0.0 108.853 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.62 -128.0 10.06 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -67.95 -12.24 60.34 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.039 0.419 . . . . 0.0 110.459 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -97.64 160.58 14.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -144.14 148.35 18.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.452 0.701 . . . . 0.0 110.668 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -115.27 117.52 30.72 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.731 1.213 . . . . 0.0 108.371 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -137.15 158.21 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.355 0.662 . . . . 0.0 109.893 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.02 166.98 24.24 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.98 141.28 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -133.3 73.94 1.54 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.06 0.933 . . . . 0.0 109.326 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.54 159.81 38.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 C-N-CA 125.674 1.59 . . . . 0.0 107.561 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.47 152.17 54.2 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.048 1.832 . . . . 0.0 108.643 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -71.33 -1.34 12.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.096 -0.378 . . . . 0.0 110.509 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.94 -13.41 61.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.548 0.739 . . . . 0.0 110.404 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -126.07 145.02 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.873 0.844 . . . . 0.0 110.657 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.44 144.47 55.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.394 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -147.21 115.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.436 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 57.1 m-70 -149.24 175.65 11.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.02 0.928 . . . . 0.0 109.944 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.411 ' CZ ' HD12 ' C' ' 47' ' ' ILE . 0.0 OUTLIER -97.42 155.4 16.93 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 117.815 0.279 . . . . 0.0 110.667 177.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.43 -23.65 66.99 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.58 -12.13 56.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.961 0.905 . . . . 0.0 111.032 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' C' ' 44' ' ' ARG . 2.1 mt -136.98 -25.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.809 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 67.3 t80 -62.23 -32.61 73.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 119.661 1.119 . . . . 0.0 110.583 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.75 -13.76 61.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -93.53 -27.63 16.53 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.445 HG22 ' NE2' ' C' ' 52' ' ' GLN . 96.7 mt -70.88 -49.43 50.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.3 mm-40 -74.55 5.25 4.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.341 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.92 -18.06 61.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.672 -0.204 . . . . 0.0 111.045 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.38 17.38 1.11 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.188 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.431 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.3 pp -139.44 -172.32 3.33 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.784 0.834 . . . . 0.0 111.122 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.1 p -139.72 173.28 11.69 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.461 0.304 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 145.37 47.89 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -85.28 170.36 9.45 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.671 3.581 . . . . 0.0 110.539 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.283 172.858 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.876 -2.824 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.997 -3.703 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.245 -3.455 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.564 -3.136 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.106 -3.594 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.291 -3.409 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.499 3.299 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.581 3.381 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 111.005 -2.996 . 0.79 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 100.402 -2.298 . 0.143 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.452 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 111.549 -2.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.19 -2.874 . 0.186 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.452 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 O4'-C1'-N19 111.325 3.125 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.499 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C5'-C4'-C3' 108.54 -4.64 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . 0.439 " H1'" ' C2 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 P-O3'-C3' 124.794 4.245 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 99.924 -2.776 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.14 -3.56 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.301 -3.399 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.641 -3.059 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.68 -3.02 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.185 -3.515 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 136.21 33.02 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.5 141.3 41.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 123.215 0.606 . . . . 0.0 109.737 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.77 162.53 29.32 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.302 1.041 . . . . 0.0 108.67 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -130.97 125.76 34.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -144.97 173.63 11.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -117.68 159.52 22.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 31.4 m -60.22 124.3 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.89 -175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.38 11.0 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.534 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -89.81 179.43 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.779 0.789 . . . . 0.0 111.041 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 m -144.33 168.92 18.94 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.264 0.626 . . . . 0.0 111.363 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.5 mm -135.53 162.52 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 125.941 1.696 . . . . 0.0 107.455 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -137.24 151.26 48.52 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.759 0.708 . . . . 0.0 111.428 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -143.33 146.26 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.83 0.852 . . . . 0.0 109.765 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -135.24 49.63 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.67 5.74 4.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.682 0.793 . . . . 0.0 110.403 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -143.98 11.76 1.6 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.024 0.53 . . . . 0.0 111.946 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.95 140.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 CA-C-N 118.848 0.749 . . . . 0.0 110.213 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -144.0 151.35 39.59 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -133.24 150.2 32.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -139.97 149.01 42.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.749 0.249 . . . . 0.0 110.424 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -110.04 95.47 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 44.6 mt -66.87 -32.44 73.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 165.16 -168.3 39.2 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 121.226 0.348 . . . . 0.0 113.561 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.01 155.93 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.351 0.66 . . . . 0.0 110.122 -172.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -146.61 60.9 1.21 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.011 . . . . 0.0 108.853 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.76 -129.84 16.67 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.58 6.71 1.32 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.683 0.393 . . . . 0.0 111.388 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -119.33 158.38 26.23 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.816 -0.552 . . . . 0.0 110.629 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -139.86 150.01 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.014 0.526 . . . . 0.0 111.322 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 118.73 28.99 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.514 1.126 . . . . 0.0 108.374 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.59 157.14 33.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.307 0.643 . . . . 0.0 110.955 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.59 162.48 21.52 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.45 140.55 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -133.29 74.36 1.56 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.055 0.931 . . . . 0.0 109.467 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.11 160.09 42.47 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.298 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.04 153.97 52.45 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.364 2.043 . . . . 0.0 108.616 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -72.97 -0.73 14.54 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.32 -13.46 61.89 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.655 . . . . 0.0 109.945 171.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.23 144.79 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.876 0.846 . . . . 0.0 110.371 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 145.66 48.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.194 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -146.87 113.8 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -149.72 164.91 33.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.798 0.809 . . . . 0.0 110.967 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -63.98 144.65 56.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.45 1.9 . . . . 0.0 109.307 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.52 -36.75 83.47 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.471 0.578 . . . . 0.0 111.72 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.19 -5.5 3.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.478 0.711 . . . . 0.0 111.716 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -131.78 -27.56 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 122.83 0.452 . . . . 0.0 111.16 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 71.9 t80 -62.85 -33.08 74.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.454 1.024 . . . . 0.0 110.416 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -74.1 -15.06 61.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.726 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -93.56 -26.92 16.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.786 0.434 . . . . 0.0 110.067 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -70.59 -52.85 25.51 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' NE2' HG22 ' A' ' 51' ' ' ILE . 84.0 mm-40 -73.72 5.85 3.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.141 0.577 . . . . 0.0 111.688 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -18.23 62.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.369 -0.207 . . . . 0.0 110.716 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 14.37 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.66 -0.522 . . . . 0.0 112.412 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.8 pp -137.94 -167.81 2.22 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.694 0.798 . . . . 0.0 110.462 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -139.71 166.67 23.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 122.199 -0.313 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB1' " H2'" ' D' ' 26' ' ' ' A' . . . -55.46 151.66 19.54 Favored Pre-proline 0 CA--C 1.531 0.215 0 C-N-CA 123.891 0.876 . . . . 0.0 111.084 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.15 -31.36 16.47 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 124.124 3.216 . . . . 0.0 113.83 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.206 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.244 -3.456 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.064 -3.636 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 111.198 2.998 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 C4'-C3'-C2' 98.589 -4.111 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.443 -3.257 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 111.763 3.563 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.687 3.487 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.411 " H2'" ' C8 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 N19-C1'-C2' 108.366 -3.147 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 N19-C1'-C2' 109.611 -2.368 . 0.15 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.412 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.244 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.095 -2.937 . 0.105 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.412 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 111.196 -2.87 . 0.059 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.013 -3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 98.862 -3.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.082 -3.618 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C4'-C3'-C2' 99.019 -3.681 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.337 -3.363 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.876 -2.824 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.76 -2.94 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.086 -3.614 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.304 3.104 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.16 148.33 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 123.394 0.677 . . . . 0.0 109.321 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -145.31 168.11 21.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 94.7 m -128.76 139.1 52.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -139.45 173.97 11.0 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -121.69 157.61 30.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' C' ' 24' ' ' GLY . 72.0 t -55.6 115.14 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.98 10.59 20.54 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.301 -0.721 . . . . 0.0 112.709 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -119.91 175.59 5.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.062 0.931 . . . . 0.0 110.868 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -146.18 168.13 21.76 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.48 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.4 mm -134.22 166.77 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.111 1.764 . . . . 0.0 107.801 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.48 ' N ' HG22 ' C' ' 12' ' ' ILE . 10.5 t-20 -135.13 147.58 49.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.229 0.468 . . . . 0.0 111.479 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -139.76 145.06 27.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 124.053 0.941 . . . . 0.0 110.054 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 -136.27 50.39 Favored Glycine 0 C--N 1.336 0.578 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.27 8.15 5.06 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.027 0.931 . . . . 0.0 109.646 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -145.79 10.31 1.2 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt -134.05 141.3 44.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 118.568 0.622 . . . . 0.0 111.052 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -145.06 151.62 38.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -133.28 150.04 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 46.2 m -142.33 151.54 42.05 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 118.17 0.441 . . . . 0.0 111.537 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -109.4 100.24 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -73.87 -26.42 60.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.705 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' C' ' 8' ' ' VAL . . . 162.07 -170.73 37.8 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.71 162.46 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.211 0.604 . . . . 0.0 110.144 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -148.74 55.18 1.01 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.91 0.884 . . . . 0.0 109.243 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.8 -127.83 9.79 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -66.69 -14.3 62.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 117.109 0.454 . . . . 0.0 110.457 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -96.53 163.03 13.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.332 0.587 . . . . 0.0 109.709 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -142.9 151.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.898 0.879 . . . . 0.0 109.634 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.1 116.5 22.87 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.224 1.01 . . . . 0.0 108.31 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -137.93 162.45 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.821 0.849 . . . . 0.0 110.348 -174.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.99 167.59 25.34 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.08 140.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -128.12 75.31 1.61 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 122.166 0.984 . . . . 0.0 109.285 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.45 160.3 58.75 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.161 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.8 154.53 30.32 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.896 2.397 . . . . 0.0 109.004 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -70.46 -0.36 8.21 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.127 -0.358 . . . . 0.0 110.941 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -13.52 62.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.99 0.516 . . . . 0.0 109.794 170.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.56 144.56 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-O 121.256 0.551 . . . . 0.0 109.909 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.3 143.75 53.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 110.909 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.4 ' O ' ' N2 ' ' B' ' 27' ' ' ' G' . 99.0 t -146.99 115.27 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -149.95 166.18 30.39 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.175 0.59 . . . . 0.0 111.17 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.481 ' HE ' ' HB3' ' C' ' 46' ' ' GLU . 8.2 ptm180 -66.87 151.61 47.22 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.155 0.982 . . . . 0.0 109.826 172.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.47 -23.42 66.27 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.747 -0.596 . . . . 0.0 111.349 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.481 ' HB3' ' HE ' ' C' ' 44' ' ' ARG . 71.3 tt0 -72.81 -9.69 58.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.678 0.791 . . . . 0.0 112.063 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.22 -23.56 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 122.81 0.444 . . . . 0.0 110.723 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 73.3 t80 -62.19 -33.86 75.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.18 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -74.46 -13.82 60.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -93.17 -28.56 16.22 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.502 HG22 HE21 ' C' ' 52' ' ' GLN . 96.8 mt -69.02 -49.88 58.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.502 HE21 HG22 ' C' ' 51' ' ' ILE . 81.1 mm-40 -75.1 5.38 5.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -177.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.2 -17.44 61.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.278 -0.264 . . . . 0.0 111.203 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.79 17.08 1.08 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.32 -172.26 3.31 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.727 0.811 . . . . 0.0 110.711 -174.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -139.84 173.79 11.17 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 122.109 -0.369 . . . . 0.0 110.687 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.59 154.07 18.77 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.189 0.596 . . . . 0.0 111.496 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.54 -176.98 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.103 3.202 . . . . 0.0 112.357 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.217 -173.66 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 C4'-C3'-C2' 99.621 -3.079 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.496 -3.204 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 C4'-C3'-C2' 99.362 -3.338 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.589 -3.111 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.175 -3.525 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.394 -3.306 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.536 3.336 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.784 3.584 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 N19-C1'-C2' 108.146 -3.284 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . 0.438 " H2'" ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.51 -3.19 . 0.474 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.427 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 112.113 -2.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C5'-C4'-C3' 111.222 -2.852 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.734 " H2'" H5'' ' D' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.734 H5'' " H2'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.335 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.445 -3.255 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.149 -3.551 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.29 -3.41 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.832 -2.868 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.712 -2.988 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.141 -3.559 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 111.293 3.093 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.582 HD12 HG13 ' C' ' 42' ' ' VAL . 0.0 OUTLIER -85.98 138.03 32.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.01 140.12 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -137.04 166.68 23.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -128.17 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -143.57 172.54 12.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -171.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -135.07 155.14 51.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.9 115.54 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 123.257 0.623 . . . . 0.0 110.028 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.57 11.27 23.62 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.825 -0.431 . . . . 0.0 112.562 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -125.46 179.48 5.1 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.761 0.78 . . . . 0.0 110.61 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -142.43 168.56 19.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -131.78 162.46 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 126.265 1.826 . . . . 0.0 106.727 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -137.47 145.99 43.73 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.298 0.499 . . . . 0.0 111.593 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -141.99 146.79 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.262 0.625 . . . . 0.0 109.599 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.85 -137.45 43.62 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -130.5 7.0 4.85 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.43 0.692 . . . . 0.0 110.966 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -141.99 10.58 1.97 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.03 136.9 59.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.979 0.809 . . . . 0.0 110.072 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -145.32 149.88 35.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -132.48 150.51 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.036 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -139.35 149.87 44.68 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.235 0.471 . . . . 0.0 110.965 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -109.71 99.1 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD22 ' C2 ' ' D' ' 30' ' ' ' C' . 25.2 mt -72.23 -29.64 64.13 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.4 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.47 -171.66 42.15 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-O 121.044 0.247 . . . . 0.0 112.785 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.73 161.46 41.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.366 0.666 . . . . 0.0 109.948 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.01 60.14 0.98 Allowed 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.607 0.763 . . . . 0.0 109.438 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.17 -128.99 12.12 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -70.07 -1.97 11.47 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.835 0.317 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.72 164.66 13.42 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.39 0.615 . . . . 0.0 109.965 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.2 151.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 123.738 0.815 . . . . 0.0 110.322 -171.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 114.78 20.57 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -135.92 158.55 39.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 123.447 0.699 . . . . 0.0 110.442 -173.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' C' ' 3' ' ' ILE . . . -137.61 164.54 25.42 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.1 mt -132.8 144.48 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -130.31 73.64 1.55 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.149 0.98 . . . . 0.0 108.912 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.55 157.96 46.35 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.3 148.31 73.88 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.748 1.632 . . . . 0.0 108.794 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.62 -2.34 8.84 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -78.57 -12.42 60.01 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.13 0.972 . . . . 0.0 111.694 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 m -120.73 145.01 27.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 173.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.64 144.82 52.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.977 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' N2 ' ' D' ' 27' ' ' ' G' . 67.5 t -148.68 113.34 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -150.95 168.37 24.75 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.161 0.984 . . . . 0.0 110.262 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CZ ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -86.89 155.8 20.1 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.457 175.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -65.99 -23.36 66.56 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.82 -8.76 31.05 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.554 0.342 . . . . 0.0 110.744 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 44' ' ' ARG . 2.0 mt -134.82 -27.58 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 122.995 0.518 . . . . 0.0 111.729 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 60.7 t80 -62.35 -32.33 73.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 119.301 0.955 . . . . 0.0 110.689 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -74.07 -10.97 60.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -98.14 -26.69 14.49 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.447 0.699 . . . . 0.0 110.687 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.492 HG22 ' NE2' ' A' ' 52' ' ' GLN . 96.6 mt -71.83 -50.28 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' NE2' HG22 ' A' ' 51' ' ' ILE . 81.5 mm-40 -73.93 5.5 4.14 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.456 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 -19.57 62.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.699 -0.191 . . . . 0.0 111.011 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.9 16.84 0.75 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.895 -0.392 . . . . 0.0 112.238 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.7 pp -137.74 -171.94 3.12 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.506 0.722 . . . . 0.0 111.164 -174.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -138.64 173.72 11.28 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.817 0.447 . . . . 0.0 109.845 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.58 145.14 40.79 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 123.18 0.592 . . . . 0.0 112.372 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -85.85 172.17 7.83 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 124.926 3.751 . . . . 0.0 110.614 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.931 172.647 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.458 -3.242 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.23 -3.47 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.409 -3.291 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.76 -3.94 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.709 -2.991 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.142 -3.558 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.92 3.72 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 N19-C1'-C2' 108.516 -3.053 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 N19-C1'-C2' 107.927 -3.42 . 0.608 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.446 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.534 ' N1 ' HG12 ' C' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 C5'-C4'-C3' 111.075 -2.95 . 0.064 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.477 ' C2 ' " H1'" ' B' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.353 3.153 OUTLIER-DELTA 0.043 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 1 C5'-C4'-C3' 108.269 -4.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . 0.477 " H1'" ' C2 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 P-O3'-C3' 124.518 4.015 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.506 -3.194 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.251 -3.449 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.396 -3.304 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.76 -2.94 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.669 -3.031 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.036 -3.664 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 C4'-C3'-C2' 99.653 -3.047 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 26.7 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.47 103.66 9.36 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 175.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 3.7 mp -87.64 150.6 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.746 0.818 . . . . 0.0 110.36 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -146.31 167.82 22.62 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 97.1 m -128.88 127.21 41.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' C' ' 6' ' ' ARG . 20.2 mmm180 -140.02 173.73 11.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -172.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -132.01 157.09 45.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 87.0 t -50.65 115.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 122.409 0.283 . . . . 0.0 110.623 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.86 -16.71 20.74 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.488 0.566 . . . . 0.0 112.356 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -80.85 173.43 12.61 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.861 0.83 . . . . 0.0 111.149 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.78 168.6 19.33 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.572 0.749 . . . . 0.0 111.192 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -138.32 164.75 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 125.794 1.638 . . . . 0.0 107.242 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -136.74 149.54 47.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.55 0.613 . . . . 0.0 111.426 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -139.96 148.07 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 123.936 0.894 . . . . 0.0 109.637 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.01 -133.99 52.52 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -130.6 5.42 4.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -145.58 1.48 0.92 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.35 139.89 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.93 0.786 . . . . 0.0 110.509 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -138.67 151.28 47.05 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 mm -132.19 151.71 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -141.92 150.6 41.7 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 118.305 0.502 . . . . 0.0 110.876 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -109.78 90.0 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 72.3 mt -68.01 -23.26 64.99 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.932 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.58 -172.78 39.58 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-O 121.197 0.332 . . . . 0.0 112.886 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -140.27 155.49 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.376 0.67 . . . . 0.0 109.193 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -146.17 60.71 1.24 Allowed 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.099 0.959 . . . . 0.0 108.907 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.11 -129.78 13.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.66 0.6 6.63 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.59 0.356 . . . . 0.0 110.816 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -113.5 161.79 16.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 118.408 0.549 . . . . 0.0 109.691 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -144.28 149.04 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 123.394 0.678 . . . . 0.0 110.28 -171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 118.25 29.58 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -137.33 156.74 33.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.025 0.53 . . . . 0.0 110.199 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.32 158.87 17.98 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.62 134.76 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.24 54.41 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.622 0.725 . . . . 0.0 109.692 -173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.45 66.9 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.09 148.56 69.69 Favored 'Trans proline' 0 N--CA 1.444 -1.401 0 N-CA-C 107.193 -1.887 . . . . 0.0 107.193 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -70.51 -0.34 8.28 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.001 -0.437 . . . . 0.0 111.051 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.68 -13.46 60.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.834 0.853 . . . . 0.0 110.796 170.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -126.64 146.03 33.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 109.769 173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.52 34.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.456 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.582 HG13 HD12 ' A' ' 2' ' ' LEU . 1.3 p -150.45 126.63 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.434 ' CE1' ' H22' ' B' ' 27' ' ' ' G' . 30.7 m-70 -149.27 -175.47 4.99 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.779 1.632 . . . . 0.0 108.967 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 153.67 25.44 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.108 -0.37 . . . . 0.0 110.631 176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.95 -31.47 66.88 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.103 0.961 . . . . 0.0 113.506 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.15 -14.98 12.09 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.028 0.531 . . . . 0.0 111.022 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.7 -25.27 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 122.873 0.469 . . . . 0.0 111.703 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' C' ' 52' ' ' GLN . 62.0 t80 -62.78 -31.89 72.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 119.268 0.94 . . . . 0.0 110.382 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -74.07 -11.97 60.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -31.62 14.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.531 HG22 HE21 ' C' ' 52' ' ' GLN . 96.6 mt -67.08 -49.23 75.2 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.531 HE21 HG22 ' C' ' 51' ' ' ILE . 82.1 mm-40 -75.32 5.56 5.51 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.48 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.18 -17.03 60.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.37 17.25 1.12 Allowed Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.828 -0.429 . . . . 0.0 112.245 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -140.4 -172.26 3.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.66 0.784 . . . . 0.0 110.747 -173.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.4 p -142.07 170.11 16.33 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.56 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 155.38 15.92 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 123.525 0.73 . . . . 0.0 111.198 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.46 -21.61 40.15 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.688 2.925 . . . . 0.0 111.933 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 122.561 0.344 . . . . 0.0 110.127 -177.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.789 -2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.245 -3.455 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.337 -3.363 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.416 -3.284 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.847 3.647 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.645 -3.055 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.644 3.444 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 1 C5'-C4'-C3' 109.34 -4.107 . 0.638 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 N19-C1'-C2' 109.733 -2.292 . 0.097 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.451 " H1'" ' N6 ' ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.369 -3.331 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . 0.438 " H4'" " H5'" ' D' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.485 3.285 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . 0.451 ' N6 ' " H1'" ' D' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 O4'-C1'-N19 111.866 3.666 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.487 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.351 -4.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 P-O3'-C3' 124.213 3.761 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.747 -2.953 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.192 -3.508 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.395 -3.305 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 99.857 -2.843 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.626 -3.074 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.186 -3.514 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.497 3.297 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 131.52 38.86 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -120.95 146.88 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.73 171.69 14.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.2 m -127.77 137.84 52.55 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -139.67 172.51 12.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -136.46 154.96 50.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.437 HG13 ' HA2' ' A' ' 24' ' ' GLY . 78.5 t -52.29 115.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.24 12.63 21.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.56 -0.578 . . . . 0.0 112.923 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.04 177.27 6.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.621 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -140.25 172.86 12.14 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mm -140.13 163.63 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.548 1.939 . . . . 0.0 106.15 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -135.5 151.33 50.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.565 -0.71 . . . . 0.0 111.733 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -142.87 147.43 20.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 124.198 0.999 . . . . 0.0 109.682 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -136.69 48.92 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.13 5.57 4.9 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.429 0.692 . . . . 0.0 109.891 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -144.23 14.12 1.63 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.242 0.617 . . . . 0.0 112.072 -175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -131.51 140.03 49.27 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.808 0.731 . . . . 0.0 110.744 -177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.2 m -140.33 151.1 44.76 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -132.68 149.68 32.32 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.049 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 m -143.25 149.86 38.48 Favored 'General case' 0 C--N 1.338 0.072 0 CA-C-N 117.829 0.286 . . . . 0.0 110.832 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -107.6 95.28 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.99 -25.31 63.54 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.328 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.36 -171.01 38.96 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.86 157.47 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.665 0.386 . . . . 0.0 110.146 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -142.64 58.67 1.44 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.263 1.025 . . . . 0.0 109.038 -174.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -128.46 10.64 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -69.25 -12.42 61.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.061 0.43 . . . . 0.0 110.461 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -95.01 160.86 14.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.93 147.4 20.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 123.205 0.602 . . . . 0.0 110.616 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -116.56 113.39 22.67 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.304 1.042 . . . . 0.0 108.553 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.96 158.02 41.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 123.462 0.705 . . . . 0.0 110.054 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.34 171.31 25.17 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 tt -141.22 148.53 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -128.68 78.37 1.84 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.23 157.34 58.65 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 113.502 -1.681 . . . . 0.0 108.497 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.67 153.59 30.17 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 122.786 2.324 . . . . 0.0 109.144 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -70.18 -0.31 7.63 Favored 'General case' 0 CA--C 1.523 -0.091 0 O-C-N 122.102 -0.374 . . . . 0.0 111.025 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.94 -13.2 62.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.051 0.54 . . . . 0.0 109.83 171.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.41 144.28 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.446 0.641 . . . . 0.0 110.15 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.53 46.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.379 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.1 t -146.86 120.85 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' H22' ' D' ' 27' ' ' ' G' . 52.6 m-70 -154.28 -166.98 2.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.257 1.023 . . . . 0.0 108.723 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 153.54 44.62 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.029 0.532 . . . . 0.0 110.434 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.29 -40.55 59.22 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -168.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -64.6 -9.11 17.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 118.113 0.415 . . . . 0.0 112.061 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -132.32 -29.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.846 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -63.37 -35.75 81.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.661 1.119 . . . . 0.0 109.974 -177.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.86 -13.79 60.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.05 -25.6 17.87 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.473 0.309 . . . . 0.0 110.272 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.494 HG22 ' NE2' ' A' ' 52' ' ' GLN . 97.0 mt -73.81 -50.56 28.58 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' NE2' HG22 ' A' ' 51' ' ' ILE . 82.4 mm-40 -73.0 5.5 3.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.932 0.493 . . . . 0.0 111.223 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.38 62.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.35 0.26 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.13 14.96 0.71 Allowed Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.404 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.9 pp -138.45 -170.85 2.91 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.552 0.741 . . . . 0.0 110.964 -174.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -139.43 174.47 10.48 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.099 0.56 . . . . 0.0 110.096 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.01 148.1 11.5 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 123.051 0.54 . . . . 0.0 111.337 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.71 -172.52 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 124.111 3.208 . . . . 0.0 112.124 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.446 -0.66 0 C-N-CA 123.728 0.811 . . . . 0.0 109.689 -176.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 99.125 -3.575 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.337 -3.363 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.066 -3.634 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.195 2.995 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.138 -3.562 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.029 -3.671 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.871 3.671 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 111.474 3.274 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 109.505 -3.997 . 0.554 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 100.033 -2.667 . 0.057 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.403 " H1'" ' N6 ' ' B' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 112.294 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.344 -2.771 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ' A' . . . . . 0.403 ' N6 ' " H1'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 110.823 -3.118 . 0.028 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.515 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C5'-C4'-C3' 109.077 -4.282 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 1 P-O3'-C3' 124.967 4.389 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.388 -3.312 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.038 -3.662 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.304 -3.396 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.705 -2.995 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.72 -2.98 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.808 -2.892 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.56 133.89 34.38 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 30' ' ' ' C' . 2.8 mp -121.02 150.02 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.22 162.21 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -130.01 121.15 25.94 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -144.0 -179.34 6.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 123.201 0.6 . . . . 0.0 109.754 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -124.46 166.37 16.14 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 111.334 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -52.83 118.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.751 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.67 4.47 30.07 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.419 -0.656 . . . . 0.0 112.812 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -112.51 179.28 4.03 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.09 0.945 . . . . 0.0 111.547 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -143.37 168.23 20.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 33.2 mm -133.19 165.56 31.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 126.353 1.861 . . . . 0.0 107.209 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 13.4 t-20 -137.67 145.44 42.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.275 0.559 . . . . 0.0 111.959 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.2 mt -136.54 116.7 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.63 4.58 35.08 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-O 119.664 -0.52 . . . . 0.0 114.221 -170.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.36 -6.49 30.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.191 0.996 . . . . 0.0 110.059 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 117.62 31.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.657 2.783 . . . . 0.0 110.566 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -134.86 152.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 CA-C-O 121.773 0.797 . . . . 0.0 112.399 -173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.28 156.43 47.67 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 124.378 1.071 . . . . 0.0 108.718 171.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -137.23 153.28 28.86 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.19 151.29 42.04 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.565 0.346 . . . . 0.0 110.858 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -109.18 103.19 15.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.515 HD22 ' C2 ' ' B' ' 30' ' ' ' C' . 19.6 mt -76.08 -30.52 58.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.673 -173.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.38 -169.19 39.76 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.18 -0.534 . . . . 0.0 113.143 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.31 155.57 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.677 0.791 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -146.0 61.84 1.25 Allowed 'General case' 0 C--O 1.231 0.103 0 C-N-CA 124.055 0.942 . . . . 0.0 108.769 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.92 -128.3 9.0 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -70.35 -10.83 60.14 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.74 162.45 13.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.829 0.452 . . . . 0.0 110.955 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -148.08 147.66 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 124.594 1.158 . . . . 0.0 109.296 -175.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.9 131.6 53.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.843 0.83 . . . . 0.0 109.365 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 pt -134.19 156.39 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.704 -175.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 163.42 19.41 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 80.5 mt -140.49 141.04 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.87 74.01 1.45 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.01 0.924 . . . . 0.0 109.046 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.97 156.6 68.92 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.125 0.97 . . . . 0.0 108.51 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.48 153.71 30.96 Favored 'Trans proline' 0 N--CA 1.444 -1.4 0 C-N-CA 122.854 2.369 . . . . 0.0 109.17 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.54 -0.54 8.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.213 -0.304 . . . . 0.0 110.992 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -69.26 -12.08 61.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.093 0.557 . . . . 0.0 110.181 170.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.13 143.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.719 0.771 . . . . 0.0 109.748 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 143.43 50.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.3 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -146.9 114.65 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -149.86 165.53 32.27 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.993 0.517 . . . . 0.0 110.827 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.546 ' HE ' ' CD ' ' C' ' 46' ' ' GLU . 13.3 ptm180 -67.87 158.03 33.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.913 1.285 . . . . 0.0 110.372 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.54 -26.76 60.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.546 ' CD ' ' HE ' ' C' ' 44' ' ' ARG . 2.8 pm0 -82.31 3.73 26.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.345 0.975 . . . . 0.0 111.654 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -131.08 -25.35 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 122.978 0.511 . . . . 0.0 110.227 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -63.32 -33.65 75.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 118.994 -1.082 . . . . 0.0 109.715 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -74.93 -14.85 60.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.55 0.34 . . . . 0.0 111.418 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -93.25 -28.0 16.5 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.581 HG22 HE21 ' C' ' 52' ' ' GLN . 98.0 mt -69.73 -47.78 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.581 HE21 HG22 ' C' ' 51' ' ' ILE . 81.5 mm-40 -76.0 5.55 6.46 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.435 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -18.76 61.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.005 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.62 17.38 1.08 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.432 ' C ' HD12 ' C' ' 55' ' ' LEU . 4.4 pp -139.08 -172.64 3.38 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.595 0.758 . . . . 0.0 111.157 -173.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.0 p -140.08 174.92 10.03 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.108 -0.37 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 152.02 20.13 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 123.145 0.578 . . . . 0.0 111.704 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.04 -174.71 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.748 2.965 . . . . 0.0 112.64 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.844 -174.711 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.308 -3.392 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.426 -3.274 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.023 2.823 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C4'-C3'-C2' 98.336 -4.364 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.457 -3.243 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 111.849 3.649 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.397 3.197 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.25 -2.833 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 100.024 -2.676 . 0.149 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ' G' . . . . . 0.468 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 110.559 -3.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.289 -2.807 . 0.195 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C5'-C4'-C3' 110.855 -3.096 . 0.031 0k . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ' C' . . . . . 0.412 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.649 3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 C4'-C3'-C2' 98.692 -4.008 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.516 -3.184 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 98.959 -3.741 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.627 -3.073 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.814 -2.886 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.602 -3.098 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.156 -3.544 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C4'-C3'-C2' 99.647 -3.053 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_