data_1j5n_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 1j5n _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 17' ' ' ASP . . . . . 0.442 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 5.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.535 ' CB ' HD21 ' A' ' 25' ' ' LEU . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' CG2' ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.587 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.582 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' ' NE2' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 5.4 mm-40 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' CD2' ' OD1' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.703 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.707 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.544 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.687 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.678 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 19' ' ' ASN . 37.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 4.7 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' ALA . 21.9 m-80 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.57 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.616 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.524 ' CB ' HD21 ' A' ' 25' ' ' LEU . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 29' ' ' MET . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.676 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 mm-40 -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.609 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.55 ' HD2' HG22 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.669 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 67' ' ' LYS . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.509 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 80' ' ' ARG . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.578 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 30.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.0 m-20 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.882 0.372 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ALA . 1.4 m-80 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.527 ' HE1' ' CD1' ' A' ' 28' ' ' TYR . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.5 m-20 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.68 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 41' ' ' SER . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.496 ' N ' HG23 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.1 m-80 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.1 mm-40 -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' N ' ' A' ' 52' ' ' GLY . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.716 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.614 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' LEU . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.675 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.813 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 23.6 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.557 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 42.4 t80 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 4.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HG3' ' A' ' 84' ' ' GLU . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.733 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.616 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.539 ' CB ' HD21 ' A' ' 25' ' ' LEU . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.3 m-20 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.568 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' A' ' 43' ' ' ASN . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.538 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.703 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.548 ' HD2' HG21 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.676 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.676 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.62 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.2 mt-30 -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.733 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 23.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.455 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . 4.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.694 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.61 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.516 ' CE ' ' HB3' ' A' ' 28' ' ' TYR . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 6.0 m-20 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG11 HG23 ' A' ' 51' ' ' VAL . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.554 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.568 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.548 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.568 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.585 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' CG ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.698 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.643 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.568 ' HD2' HG22 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.656 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.724 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.832 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.504 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.651 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 52.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.397 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.643 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.565 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.521 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.727 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.9 m-20 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 51' ' ' VAL . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.546 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.727 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 57' ' ' GLU . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.578 ' O ' ' CB ' ' A' ' 63' ' ' THR . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.578 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.565 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.621 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 25' ' ' LEU . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.651 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.612 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 37.3 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 2.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.495 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.747 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.648 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.584 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 29' ' ' MET . 7.8 m-20 -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.469 ' O ' ' HB ' ' A' ' 39' ' ' VAL . 2.8 m-80 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.48 HD13 ' OD2' ' A' ' 37' ' ' ASP . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 35' ' ' ASN . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.688 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.526 ' HD2' HG21 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.616 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.552 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 83' ' ' SER . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 27.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 6.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 20' ' ' ALA . 3.4 m-80 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.565 ' CB ' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.574 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.603 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.637 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.3 m-80 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.542 ' CA ' ' NE2' ' A' ' 50' ' ' GLN . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.67 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.612 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.693 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.67 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.67 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.804 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 19.0 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.642 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.625 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.634 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' CE1' ' HG2' ' A' ' 18' ' ' PRO . 35.3 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 1.9 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 1.8 m-80 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.669 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.679 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.529 ' CB ' HD22 ' A' ' 25' ' ' LEU . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.8 m-20 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 43' ' ' ASN . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.707 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.662 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.521 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.679 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.669 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.538 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 1.3 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.508 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.2 m-20 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 35' ' ' ASN . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.575 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 mm-40 -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.72 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' GLU . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.557 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 87' ' ' LEU . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.0 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 m-80 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.691 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.621 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.581 ' CB ' HD21 ' A' ' 25' ' ' LEU . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.5 m-20 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 51' ' ' VAL . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.559 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.559 HG12 ' HB3' ' A' ' 43' ' ' ASN . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.527 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.71 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.544 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.631 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.862 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.575 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.606 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 35.1 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.897 0.38 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 88' ' ' TYR . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.573 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.555 ' SD ' ' N ' ' A' ' 29' ' ' MET . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.1 m-20 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.548 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 43' ' ' ASN . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.476 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.723 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.604 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' HG21 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.573 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD23 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 52.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 4.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.865 0.364 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 22' ' ' LYS . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.527 ' CB ' HD22 ' A' ' 25' ' ' LEU . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 5.1 m-20 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 35' ' ' ASN . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.717 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.717 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.521 ' CA ' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.558 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.9 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 3.0 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 13.6 m-80 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.622 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 10.1 m-20 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' THR . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.64 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.1 mm-40 -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CG ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' HG21 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.481 ' HG2' ' CB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.601 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 25.8 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.577 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 22.9 t80 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 3.5 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 88' ' ' TYR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' O ' ' O ' ' A' ' 23' ' ' ARG . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.751 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.618 ' SD ' ' N ' ' A' ' 29' ' ' MET . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.61 ' ND2' ' CD1' ' A' ' 31' ' ' PHE . 2.6 m-80 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 41' ' ' SER . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 44' ' ' PRO . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.612 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.618 ' O ' ' CB ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.704 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.704 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.888 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.751 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.549 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 HD23 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.9 t80 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.943 0.402 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.654 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.647 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.57 ' HE2' ' HA ' ' A' ' 29' ' ' MET . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' ' CD2' ' A' ' 31' ' ' PHE . 2.5 m-80 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.566 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.9 m-80 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.62 ' O ' ' CB ' ' A' ' 47' ' ' THR . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.5 mm-40 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' A' ' 52' ' ' GLY . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' CG1' ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.737 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.694 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.694 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.638 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.655 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.655 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.64 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 40.8 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.952 0.406 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.525 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 m-80 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.653 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.605 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.539 ' CB ' HD21 ' A' ' 25' ' ' LEU . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.826 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.686 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.552 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.565 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.565 ' CG1' ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.719 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.659 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.746 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.746 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.826 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.576 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.626 ' CD2' ' HD3' ' A' ' 21' ' ' PRO . 3.7 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.604 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.67 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.585 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.572 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.822 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 29' ' ' MET . 4.4 m-20 -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 35' ' ' ASN . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.565 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.8 mm-40 -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.6 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.684 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.822 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.565 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CG ' ' HE3' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.604 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.51 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.8 t80 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.943 0.402 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m-80 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HA ' ' HG3' ' A' ' 84' ' ' GLU . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.73 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.538 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 29' ' ' MET . 11.9 m-20 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 2.3 m-80 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' GLN . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.549 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.701 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.602 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.552 ' HD2' HG22 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' CA ' ' OE1' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CE2' ' HG2' ' A' ' 18' ' ' PRO . 6.3 t80 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 7.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.67 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.616 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.538 ' CB ' HD23 ' A' ' 25' ' ' LEU . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.0 m-20 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.532 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.527 ' CD ' HG21 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.679 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.679 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 17.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.615 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.7 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 m -72.38 -18.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -119.4 89.1 39.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.94 132.27 41.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.76 2.307 . . . . 0.0 112.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -94.31 24.23 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 7' ' ' PRO . 23.1 tt0 -101.34 144.15 28.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 6' ' ' GLU . 53.5 Cg_exo -52.2 141.25 49.52 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.749 2.299 . . . . 0.0 112.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 49.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.72 92.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' O ' ' CG2' ' A' ' 11' ' ' THR . 1.2 ptm180 -131.13 136.1 48.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 161.12 120.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.34 48.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' NH2' ' OP2' ' B' ' 107' ' ' ' DA' . 22.5 mmm-85 -36.14 151.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.5 OUTLIER -61.13 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.4 tttp -94.01 174.47 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 17.0 ttpp 168.12 82.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 5.3 m-20 157.35 150.28 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.633 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' CG2' ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' NH2' ' OP2' ' B' ' 113' ' ' ' DC' . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.587 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.582 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.645 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' ' NE2' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 5.4 mm-40 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' CD2' ' OD1' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.703 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HE3' " O3'" ' C' ' 122' ' ' ' DA' . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.707 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.544 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.687 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.678 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 19' ' ' ASN . 37.7 t80 -36.39 -41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -92.35 -31.03 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' LEU . . . -78.21 11.45 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.259 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.521 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -141.75 -41.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' CD2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -74.81 -32.75 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.78 178.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.217 2 O4'-C1'-N19 111.633 4.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 111.986 5.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 2 O4'-C1'-N19 112.644 6.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.581 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.61 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.581 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 2 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.454 ' OP2' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.171 1 O4'-C4'-C3' 110.231 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.534 ' OP2' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.658 2 O4'-C1'-N19 113.45 7.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.529 ' C7 ' ' C5 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.132 2 O4'-C1'-N19 114.116 7.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.52 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 1.952 2 O4'-C1'-N19 114.081 7.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.633 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.529 2.231 2 O4'-C4'-C3' 110.142 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.559 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.163 5.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.436 2 O4'-C4'-C3' 110.117 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.518 ' OP2' ' NH2' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.494 -2.401 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.42 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.052 2 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.473 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.883 1 O4'-C4'-C3' 110.664 5.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.063 1 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.607 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.145 1 O4'-C4'-C3' 109.799 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.041 2 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.592 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.706 2 O4'-C1'-N19 112.778 6.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.475 ' C8 ' ' H72' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.621 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 2 O4'-C1'-N19 114.132 7.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.621 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 2 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.064 1 O4'-C4'-C3' 109.88 4.28 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.156 2 O4'-C1'-N19 113.3 6.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.517 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.96 1 O4'-C4'-C3' 110.147 4.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.517 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 2 O4'-C4'-C3' 110.631 5.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.745 0.307 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.51 11.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 m -107.19 80.82 0.89 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -52.05 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 46.52 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -86.15 -44.81 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 56.6 Cg_exo -51.58 -175.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -160.0 -39.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' THR . 6.8 mtt180 -35.21 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.8 m -33.28 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 53.0 81.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.29 115.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.56 168.07 16.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 143.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -175.99 126.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 m-20 85.63 149.39 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.541 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 21.9 m-80 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.578 ' OG ' ' N3 ' ' C' ' 123' ' ' ' DA' . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.616 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 29' ' ' MET . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.676 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 mm-40 -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.609 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.55 ' HD2' HG22 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.669 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 67' ' ' LYS . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.509 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 80' ' ' ARG . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.578 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 30.3 t80 -37.11 -39.91 0.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 3.4 m-20 -93.98 -29.97 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.766 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -75.31 4.03 7.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.89 -46.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -71.31 -31.25 67.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.204 2 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 2 O4'-C1'-N19 112.036 5.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 2 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.597 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.704 3 O4'-C4'-C3' 110.358 4.758 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.597 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.533 2 O4'-C1'-N19 112.01 5.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.437 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.499 -1.926 1 O4'-C4'-C3' 110.23 4.63 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.43 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.866 3 O4'-C1'-N19 113.357 6.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.51 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.223 2 O4'-C1'-N19 113.213 6.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.495 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 114.609 8.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.626 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.579 2 O4'-C4'-C3' 110.046 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.55 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.506 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.538 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.329 3 N19-C1'-C2' 105.736 -5.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.433 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.003 2 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.321 2 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.491 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.491 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.603 2 O4'-C4'-C3' 109.951 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 110.376 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.651 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 1 O4'-C4'-C3' 109.75 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.651 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.989 2 O4'-C1'-N19 112.556 5.945 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.532 ' C2 ' ' HE1' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.609 1.552 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.578 ' N3 ' ' OG ' ' A' ' 26' ' ' SER . . . . . . . . 0 C3'--C2' 1.496 -2.176 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.482 ' OP1' ' HD2' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.988 2 O4'-C1'-N19 112.575 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C4'-C3' 109.986 4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.154 2 O4'-C1'-N19 113.192 6.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.728 3 O4'-C1'-N19 112.364 5.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.513 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.513 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.105 2 O4'-C4'-C3' 110.624 5.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.8 m 36.35 92.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.83 89.19 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 94.17 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.265 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.14 60.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 3.8 mp0 -112.99 150.01 42.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.01 174.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.772 2.314 . . . . 0.0 112.233 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 171.1 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' ARG . 2.8 ttmm -173.23 91.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' O ' ' CG2' ' A' ' 11' ' ' THR . 4.6 mtp85 36.55 -157.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 161.25 -61.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 43.82 68.3 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.27 141.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -122.93 -90.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 2.8 ttpt -154.2 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 16.3 ttpp 54.03 75.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m-20 158.59 126.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.4 m-80 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.62 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.5 m-20 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.68 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 41' ' ' SER . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.496 ' N ' HG23 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.1 m-80 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.1 mm-40 -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' N ' ' A' ' 52' ' ' GLY . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.716 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.614 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' LEU . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.675 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.813 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 23.6 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.557 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 42.4 t80 -37.03 -41.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -92.81 -29.76 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . -78.54 9.92 3.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.569 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -139.86 -42.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.47 -31.56 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.806 178.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.158 2 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.508 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.388 5.735 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.786 2 O4'-C4'-C3' 110.37 4.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.494 2 O4'-C1'-N19 112.664 6.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 1 O4'-C4'-C3' 110.252 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.424 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.852 3 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.545 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C1'-N19 112.673 6.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 " O3'" HD13 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.608 1.525 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.62 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.573 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.571 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.063 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.461 2 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.399 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.036 2 O4'-C1'-N19 112.477 5.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.637 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.468 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.007 1 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.526 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 2 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.142 1 O4'-C4'-C3' 110.24 4.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.002 1 O4'-C4'-C3' 110.409 4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.722 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 109.775 4.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.722 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.984 2 O4'-C1'-N19 112.673 6.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.51 ' C2 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.617 2 O4'-C1'-N19 112.708 6.135 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.546 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.227 1 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.541 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.912 2 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.895 2 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 109.926 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.169 2 O4'-C1'-N19 113.116 6.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.367 5.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.52 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.018 1 O4'-C4'-C3' 110.145 4.545 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.52 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C4'-C3' 110.708 5.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 5.4 p -137.41 120.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -148.02 116.95 4.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 50.9 Cg_endo -69.03 167.05 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 174.06 -66.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.17 128.53 81.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . 56.2 Cg_exo -51.52 101.61 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.757 2.304 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmpt? -38.13 120.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 10.3 mmtm -56.38 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' LYS . 1.5 ttp-105 -36.66 -72.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 12' ' ' THR . 37.2 m 64.79 -90.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.72 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.9 OUTLIER -32.86 121.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.039 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -154.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 5.5 mttt -105.22 148.38 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 18.0 ttpp 167.98 76.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 m-20 159.05 150.36 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HG3' ' A' ' 84' ' ' GLU . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.733 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.653 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.3 m-20 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.568 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' A' ' 43' ' ' ASN . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.538 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.703 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.548 ' HD2' HG21 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.676 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.676 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.62 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.2 mt-30 -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' HD3' " C3'" ' C' ' 125' ' ' ' DC' . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.733 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 23.8 t80 -36.94 -41.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.442 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 6.3 p30 -92.63 -30.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -73.9 3.39 6.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -131.95 -47.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.555 ' N ' ' CG2' ' A' ' 91' ' ' THR . 0.6 OUTLIER -63.45 -36.83 85.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.762 178.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.128 2 O4'-C1'-N19 113.857 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 2 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.833 2 O4'-C1'-N19 112.628 6.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.706 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.606 3 O4'-C4'-C3' 110.407 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.706 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.496 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.462 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.415 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.557 2 O4'-C1'-N19 113.468 7.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.523 ' OP2' ' CA ' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.887 2 O4'-C1'-N19 113.721 7.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.492 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.653 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C4'-C3' 110.094 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.555 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.13 2 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.616 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.484 2 O4'-C1'-N19 111.539 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.365 3 N19-C1'-C2' 105.679 -5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.445 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.983 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 2 O4'-C4'-C3' 110.175 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.491 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.755 5.155 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.491 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.12 1 O4'-C4'-C3' 110.181 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C4'-C3' 110.453 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.706 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.154 1 O4'-C4'-C3' 109.765 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.706 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C1'-N19 112.539 5.923 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.559 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 112.301 5.626 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.542 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.492 1 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.754 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.768 1 O4'-C1'-N19 113.712 7.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.754 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.956 2 O4'-C1'-N19 113.141 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.005 1 O4'-C4'-C3' 109.819 4.219 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.155 2 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.716 3 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.493 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.188 4.588 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.493 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 27.8 m -119.38 87.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 128.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.95 101.37 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -31.67 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 4.8 mp0 -116.89 83.27 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 151.91 69.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 117.87 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -141.79 160.82 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 57.66 176.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 74.78 25.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 3.3 ptt180 -34.25 155.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.901 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.1 mtmt -141.37 49.72 1.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 53.68 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 5.3 ttpp 158.43 70.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.2 m-20 156.71 142.87 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.694 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.637 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 6.0 m-20 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG11 HG23 ' A' ' 51' ' ' VAL . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.554 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.568 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.548 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.608 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.568 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.585 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' CG ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.698 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.643 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.568 ' HD2' HG22 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.656 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.724 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.832 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.504 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.651 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.587 ' CD1' HD22 ' A' ' 92' ' ' LEU . 52.2 t80 -34.06 -65.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 2.6 m-80 -56.63 -40.7 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' LEU . . . -71.13 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -32.3 -57.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.29 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.587 HD22 ' CD1' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -58.84 -45.08 90.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -178.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.506 -1.247 2 O4'-C1'-N19 113.907 7.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.057 2 O4'-C1'-N19 112.811 6.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 2 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.708 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.608 1.543 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.708 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.615 2 O4'-C1'-N19 112.402 5.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 1 O4'-C4'-C3' 110.33 4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.545 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.234 2 O4'-C1'-N19 114.302 8.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.566 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.733 2 O4'-C1'-N19 112.771 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.509 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.149 2 O4'-C1'-N19 113.925 7.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.637 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.529 2.188 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.555 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.255 2 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.608 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.553 2 O4'-C1'-N19 111.783 4.978 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.54 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.396 3 N19-C1'-C2' 105.65 -5.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.445 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.014 2 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C4'-C3' 110.143 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.495 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.921 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.495 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 2 O4'-C4'-C3' 109.991 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.117 1 O4'-C4'-C3' 110.137 4.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C4'-C3' 110.445 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.665 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.2 1 O4'-C4'-C3' 109.847 4.247 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.665 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 2 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.517 ' C2 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.589 2 O4'-C1'-N19 112.449 5.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.467 ' C8 ' ' H73' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.19 1 O4'-C4'-C3' 110.179 4.579 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.02 2 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C4'-C3' 109.904 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.226 2 O4'-C1'-N19 113.196 6.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 3 O4'-C1'-N19 112.605 6.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.495 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.931 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.495 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.94 2 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' THR . 7.4 p -56.03 143.87 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.441 ' HB ' ' HD2' ' A' ' 4' ' ' PRO . 16.5 p -37.32 159.53 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 3' ' ' THR . 53.2 Cg_endo -69.8 -11.75 31.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.4 36.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.4 81.4 5.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 123.6 10.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 28.5 tptt -116.89 73.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mttm 159.42 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -63.88 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ARG . 3.5 m 83.61 -10.03 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' THR . 17.8 p -33.37 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.08 151.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -132.48 -91.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -91.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 8.2 ttpp 47.56 73.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.5 m-20 158.82 135.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.561 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.548 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-80 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.643 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.565 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.623 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.727 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.9 m-20 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 51' ' ' VAL . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.546 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.727 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 57' ' ' GLU . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.578 ' O ' ' CB ' ' A' ' 63' ' ' THR . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.578 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.621 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 25' ' ' LEU . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.651 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.612 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 37.3 t80 -36.68 -42.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -92.56 -30.25 15.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 177.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -75.06 4.05 7.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.548 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -132.5 -46.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.561 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.36 -34.15 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.829 179.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.069 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.087 2 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 2 O4'-C1'-N19 112.659 6.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 2 O4'-C1'-N19 112.923 6.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.603 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.588 3 O4'-C4'-C3' 110.332 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.603 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.681 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.195 1 O4'-C4'-C3' 110.403 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.681 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.186 2 O4'-C1'-N19 114.015 7.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.517 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.619 2.628 2 O4'-C1'-N19 112.737 6.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.512 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.18 2 O4'-C1'-N19 113.704 7.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.623 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.14 2 O4'-C4'-C3' 110.151 4.551 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.564 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.197 2 O4'-C1'-N19 112.216 5.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.6 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.418 2 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.557 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.338 3 N19-C1'-C2' 105.724 -5.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.435 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.101 2 O4'-C1'-N19 112.459 5.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 2 O4'-C4'-C3' 110.121 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.498 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.498 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.821 2 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.168 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C4'-C3' 110.421 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.716 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.217 1 O4'-C4'-C3' 109.873 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.716 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 2 O4'-C1'-N19 112.711 6.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.462 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.609 1.581 2 O4'-C1'-N19 112.487 5.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.576 ' N3 ' ' OG ' ' A' ' 26' ' ' SER . . . . . . . . 0 C3'--C2' 1.5 -1.819 1 O4'-C4'-C3' 110.195 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.594 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 114.726 8.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.594 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.547 2 O4'-C1'-N19 111.901 5.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C4'-C3' 109.863 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C1'-N19 113.107 6.633 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C5 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.835 3 O4'-C1'-N19 112.682 6.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.546 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.149 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.546 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.066 2 O4'-C4'-C3' 110.581 4.981 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.53 76.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.593 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.51 -43.12 0.82 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 3' ' ' THR . 53.5 Cg_exo -52.01 101.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -13.05 11.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.88 134.89 23.23 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 121.54 8.26 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.764 2.31 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -101.46 25.22 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 2.2 mttm 174.73 153.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -132.28 150.76 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.976 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.545 ' O ' ' CB ' ' A' ' 12' ' ' THR . 24.2 p 53.4 164.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 156.62 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.653 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -31.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -78.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -153.58 147.85 25.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER 169.16 132.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 2.7 m-20 85.04 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.747 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.648 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 29' ' ' MET . 7.8 m-20 -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.469 ' O ' ' HB ' ' A' ' 39' ' ' VAL . 2.8 m-80 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.48 HD13 ' OD2' ' A' ' 37' ' ' ASP . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 35' ' ' ASN . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CD ' " O5'" ' C' ' 121' ' ' ' DC' . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.688 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.526 ' HD2' HG21 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.616 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.544 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.552 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.585 ' CD1' HD23 ' A' ' 92' ' ' LEU . 27.4 t80 -35.94 -42.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 26.6 m-80 -92.72 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.932 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -74.46 2.64 9.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.231 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.1 -45.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.679 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -70.27 -31.96 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.206 2 O4'-C1'-N19 111.68 4.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 2 O4'-C1'-N19 112.032 5.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.929 2 O4'-C1'-N19 112.507 5.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.497 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.698 3 O4'-C4'-C3' 110.34 4.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.499 ' O4 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.434 2 O4'-C1'-N19 112.002 5.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.532 ' C6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.025 1 O4'-C4'-C3' 110.414 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.538 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.184 2 O4'-C1'-N19 114.254 8.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.585 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.845 2 O4'-C1'-N19 112.678 6.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 113.931 7.664 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.626 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C4'-C3' 110.167 4.567 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.521 " O3'" ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.551 ' OP1' ' NE ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.523 1.547 2 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.356 3 N19-C1'-C2' 106.014 -5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.967 2 O4'-C1'-N19 112.251 5.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.022 2 O4'-C1'-N19 112.078 5.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.831 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 3 O4'-C4'-C3' 110.343 4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.831 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.687 2 O4'-C4'-C3' 109.749 4.149 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.045 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C4'-C3' 110.39 4.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C4'-C3' 109.694 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.605 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.611 1.761 2 O4'-C1'-N19 112.736 6.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.594 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.629 2 O4'-C1'-N19 112.449 5.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.495 -2.321 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.534 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.193 2 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.449 H2'' ' N7 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 2 O4'-C1'-N19 113.115 6.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C4'-C3' 109.961 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.159 2 O4'-C1'-N19 113.191 6.738 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.51 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C4'-C3' 110.155 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.51 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' THR . 8.3 p -150.78 48.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 57.82 126.46 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.97 -30.62 21.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 7.3 mmm180 72.65 168.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.26 78.91 67.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.91 157.45 60.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.759 2.306 . . . . 0.0 112.271 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -158.8 -43.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 pttp 171.28 162.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' NE ' ' O4 ' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -153.2 -81.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' ' 12' ' ' THR . 27.8 p 58.22 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 156.93 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -33.13 153.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? 69.47 84.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 -47.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HE2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER -118.71 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 6.3 m-20 -163.68 117.03 1.05 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.576 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 3.4 m-80 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' A' ' 19' ' ' ASN . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' CB ' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.574 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.634 ' SD ' ' N3 ' ' B' ' 110' ' ' ' DG' . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.637 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.3 m-80 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' CA ' ' NE2' ' A' ' 50' ' ' GLN . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.67 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.612 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.693 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.67 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.67 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.804 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 19.0 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.642 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.625 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.634 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.619 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 35.3 t80 -38.1 -39.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -93.9 -29.24 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.819 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . -76.08 4.19 8.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.576 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -134.81 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.619 ' CD2' ' CZ ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -73.68 -30.23 62.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.925 179.074 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' HD13 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.119 2 O4'-C1'-N19 113.857 7.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.009 2 O4'-C1'-N19 112.593 5.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.763 2 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.707 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 3 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.707 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.474 ' OP1' ' HE2' ' A' ' 16' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.055 2 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.528 ' O4 ' ' NE ' ' A' ' 10' ' ' ARG . . . . . . . . 0 P--O5' 1.613 1.998 2 O4'-C1'-N19 113.874 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.578 ' O2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 115.136 9.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.634 ' N3 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.531 2.452 2 O4'-C4'-C3' 110.127 4.527 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.526 " O3'" ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.134 2 O4'-C1'-N19 111.987 5.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.59 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.378 2 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.568 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.263 3 N19-C1'-C2' 105.775 -5.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.437 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.116 2 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 2 O4'-C4'-C3' 110.107 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.488 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.488 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.819 2 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.171 1 O4'-C4'-C3' 110.435 4.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.562 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C4'-C3' 109.877 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.587 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.43 ' C2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.606 2 O4'-C1'-N19 112.573 5.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.523 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.384 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.551 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.9 2 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 2 O4'-C1'-N19 112.756 6.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.294 1 O4'-C4'-C3' 109.792 4.192 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.616 2.309 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.761 3 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.494 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C4'-C3' 110.208 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.494 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.061 2 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 2' ' ' VAL . 6.2 p -148.19 24.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.535 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 7.5 m -44.48 -55.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 3' ' ' THR . 48.6 Cg_endo -68.83 104.62 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -95.84 -178.27 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' OE2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.1 OUTLIER -100.56 162.2 21.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' GLU . 54.2 Cg_exo -51.85 -164.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -109.64 135.3 50.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 8' ' ' LYS . 1.2 tpmp? 178.9 145.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' HB3' ' P ' ' C' ' 119' ' ' ' DA' . 0.1 OUTLIER -95.94 -72.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -33.28 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER 62.72 -178.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 29.01 82.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -85.45 -89.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 10.9 tttp -165.98 -91.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 11.3 pttp 49.44 173.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 1.9 m-20 71.76 135.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 1.8 m-80 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.669 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.679 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.616 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.636 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.8 m-20 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 43' ' ' ASN . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HG2' ' OP1' ' C' ' 121' ' ' ' DC' . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.707 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.662 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.534 ' HD3' " C3'" ' C' ' 125' ' ' ' DC' . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.536 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.679 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.669 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.538 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 -49.72 -40.42 40.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.515 ' HA ' ' HB3' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -93.67 -31.05 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.724 176.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -64.8 -10.62 29.31 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.503 HG21 ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -123.38 -41.01 2.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.351 178.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 88' ' ' TYR . 1.7 tm? -46.8 -46.69 20.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.272 2 O4'-C1'-N19 113.904 7.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 2 O4'-C1'-N19 112.663 6.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 2 O4'-C1'-N19 112.701 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.7 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.691 3 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.7 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.571 5.964 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.564 ' N7 ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C3'--C2' 1.501 -1.728 1 O4'-C4'-C3' 110.098 4.498 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.414 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 3 O4'-C1'-N19 113.478 7.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.49 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.905 2 O4'-C1'-N19 113.653 7.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.668 1 O4'-C1'-N19 114.914 8.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.636 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.431 2 O4'-C4'-C3' 110.051 4.451 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.528 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.238 2 O4'-C1'-N19 112.332 5.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.612 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 111.663 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.527 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.364 3 N19-C1'-C2' 105.664 -5.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.433 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.985 2 O4'-C1'-N19 112.499 5.874 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 2 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.491 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.013 1 O4'-C4'-C3' 110.67 5.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.491 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.66 2 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C4'-C3' 110.063 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.714 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C4'-C3' 109.818 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.714 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.878 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.558 ' C2 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.523 1.542 2 O4'-C1'-N19 112.583 5.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.575 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.312 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.776 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.865 1 O4'-C1'-N19 114.269 8.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.776 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.263 2 O4'-C1'-N19 113.282 6.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.191 1 O4'-C4'-C3' 109.786 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 2 O4'-C1'-N19 113.214 6.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.641 6.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.499 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.988 1 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.499 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.128 2 O4'-C4'-C3' 110.697 5.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -36.63 -39.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.7 m -145.88 130.55 8.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.284 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.31 -13.03 61.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.0 132.43 8.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 54.0 Cg_endo -69.79 -3.25 11.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.748 2.299 . . . . 0.0 112.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 68.21 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.92 162.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 67.85 175.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.614 HG22 ' P ' ' B' ' 107' ' ' ' DA' . 1.2 m 155.94 -20.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 12' ' ' THR . 98.4 m 48.35 36.31 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -30.72 128.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.159 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 21.9 mtpt 85.11 87.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 169.71 51.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 158.86 94.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.3 p30 158.73 121.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.532 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.586 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 " C5'" ' B' ' 110' ' ' ' DG' . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.579 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.614 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.2 m-20 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 35' ' ' ASN . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.575 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 mm-40 -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.72 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' GLU . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.545 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.557 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.663 ' CE ' ' P ' ' C' ' 127' ' ' ' DC' . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 87' ' ' LEU . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.635 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 50.0 t80 -37.39 -40.87 0.39 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 5.6 p30 -92.13 -30.75 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.791 177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -78.58 10.39 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.586 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.7 -42.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.635 ' CD2' ' CZ ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -77.89 -29.49 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.159 2 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 2 O4'-C1'-N19 111.956 5.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.868 2 O4'-C1'-N19 112.623 6.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 2 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.403 H2'' ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C4'-C3' 110.066 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.403 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.929 1 O4'-C4'-C3' 110.21 4.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.614 ' P ' HG22 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.928 3 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.598 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.093 2 O4'-C1'-N19 113.264 6.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.608 1.501 2 O4'-C1'-N19 114.163 7.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.614 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.529 " O3'" ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.27 2 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.599 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.511 2 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.491 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.342 3 N19-C1'-C2' 105.705 -5.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.433 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.977 2 O4'-C1'-N19 112.732 6.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.667 4.833 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.462 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C4'-C3' 110.674 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.462 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 2 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.128 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.737 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C4'-C3' 109.793 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.737 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.165 2 O4'-C1'-N19 112.84 6.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.524 ' C2 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.61 1.705 2 O4'-C1'-N19 112.787 6.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.488 ' OP1' ' HD3' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.517 2 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.635 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.353 2 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.635 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.771 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 2 O4'-C1'-N19 112.344 5.68 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.771 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 112.913 6.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 2 O4'-C1'-N19 112.274 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.527 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.892 1 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.527 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.166 2 O4'-C4'-C3' 110.676 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.477 ' CB ' ' O ' ' A' ' 1' ' ' MET . 7.2 t 83.7 113.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 174.83 123.2 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.0 -163.08 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 31.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -68.86 138.34 90.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.74 2.63 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 150.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -114.84 157.02 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' THR . 2.1 tpt180 -87.73 -48.2 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 10' ' ' ARG . 2.4 t 42.96 83.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.11 106.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.2 OUTLIER -33.72 154.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.4 OUTLIER -118.9 -153.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -139.83 154.75 47.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.983 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.68 174.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 67.53 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.564 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.51 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.2 m-80 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.691 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.617 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.5 m-20 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 51' ' ' VAL . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.559 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.559 HG12 ' HB3' ' A' ' 43' ' ' ASN . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.527 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.71 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.544 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.631 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.862 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.575 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.606 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 35.1 t80 -54.39 -38.53 66.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.32 -29.86 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.677 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -77.03 2.42 15.01 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.95 -45.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.643 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.564 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -73.44 -30.76 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.063 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C1'-N19 112.071 5.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.933 2 O4'-C1'-N19 112.597 5.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.714 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.623 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.714 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 2 O4'-C1'-N19 112.563 5.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C4'-C3' 110.174 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.43 ' N7 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 3 O4'-C1'-N19 112.837 6.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.559 ' C2 ' ' HD2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.037 2 O4'-C1'-N19 113.069 6.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.513 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.525 1.773 2 O4'-C1'-N19 114.919 8.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.617 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 114.325 8.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.562 ' OP1' " C4'" ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 3 O4'-C1'-N19 112.357 5.696 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.61 ' P ' ' HG3' ' A' ' 36' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.653 2 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.285 3 N19-C1'-C2' 105.722 -5.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.421 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.08 2 O4'-C1'-N19 112.447 5.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 2 O4'-C1'-N19 111.716 4.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.477 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.081 1 O4'-C4'-C3' 110.639 5.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.523 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.836 2 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.692 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.149 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.692 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.215 1 O4'-C4'-C3' 110.48 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.474 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.185 1 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.622 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.99 2 O4'-C1'-N19 112.767 6.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.576 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.526 1.875 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.633 " H4'" ' OP1' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.561 3 O4'-C1'-N19 112.869 6.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.633 ' OP1' " H4'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.445 2 O4'-C1'-N19 112.375 5.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.183 1 O4'-C4'-C3' 109.764 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.243 2 O4'-C1'-N19 113.146 6.682 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 3 O4'-C1'-N19 112.482 5.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.531 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.993 1 O4'-C4'-C3' 110.169 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.531 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 2.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 1' ' ' MET . 13.8 m -160.35 162.57 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.4 132.42 13.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 53.8 Cg_exo -51.97 -64.12 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.277 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 12.4 mtp180 -173.63 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -130.29 114.37 17.2 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 129.31 17.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -75.64 94.15 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.65 112.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -74.61 149.09 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 30.5 p 42.97 27.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' ARG . 6.4 t -34.28 -43.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.45 148.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.79 107.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -45.23 126.12 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 82.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER 171.07 130.59 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.571 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.659 ' CE ' ' C4 ' ' B' ' 110' ' ' ' DG' . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.1 m-20 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.548 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 43' ' ' ASN . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.476 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.723 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.604 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' HG21 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.573 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.584 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.596 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 52.3 t80 -36.62 -41.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 5.7 p30 -91.89 -30.79 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.852 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . -79.77 11.8 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.571 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.69 -41.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -78.98 -30.46 44.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.142 2 O4'-C4'-C3' 110.393 4.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.8 2 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 2 O4'-C1'-N19 112.573 5.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.586 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.612 3 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.586 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.309 2 O4'-C4'-C3' 109.811 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.709 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.008 1 O4'-C4'-C3' 110.381 4.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.709 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.495 -2.266 2 O4'-C1'-N19 114.349 8.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.563 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 112.288 5.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.027 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.659 ' C4 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.529 2.235 2 O4'-C4'-C3' 110.093 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.524 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.53 5.912 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.564 ' C4 ' ' N4 ' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.522 1.432 2 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.564 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.41 3 N19-C1'-C2' 105.724 -5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.441 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.965 2 O4'-C1'-N19 112.629 6.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.266 2 O4'-C4'-C3' 110.065 4.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.488 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.922 1 O4'-C4'-C3' 110.596 4.996 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.488 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.721 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.101 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.721 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C4'-C3' 110.423 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.675 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 109.887 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.675 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.126 2 O4'-C1'-N19 112.772 6.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.476 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.61 1.718 2 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.473 ' OP1' ' HD3' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.466 1 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.616 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.072 2 O4'-C1'-N19 114.581 8.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.616 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.041 2 O4'-C1'-N19 112.369 5.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.799 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.785 2 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.799 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.883 2 O4'-C1'-N19 113.078 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 3 O4'-C1'-N19 112.39 5.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.53 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.928 1 O4'-C4'-C3' 110.144 4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.53 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C4'-C3' 110.616 5.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.5 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 1' ' ' MET . 66.1 t 54.59 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' PRO . 1.3 t -178.95 140.08 0.36 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.4 Cg_exo -52.14 -162.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.765 2.31 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.4 -41.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.1 69.82 0.33 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.42 99.65 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.772 2.314 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.22 169.89 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 5.1 mmmt 83.88 -65.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 44.62 -154.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.482 ' C ' ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER 62.59 128.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 164.46 -93.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.1 ptm180 28.26 64.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 15' ' ' LYS . 1.3 ttpt -96.11 40.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 51.58 169.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 158.23 78.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.9 m-20 158.52 148.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.506 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 6.5 m-80 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 22' ' ' LYS . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.612 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 5.1 m-20 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 35' ' ' ASN . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.717 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HZ ' ' N3 ' ' C' ' 120' ' ' ' DA' . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.433 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.717 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HD3' ' P ' ' C' ' 123' ' ' ' DA' . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.521 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.558 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.9 t80 -53.19 -38.03 62.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 11.3 p30 -94.7 -30.36 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.699 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . -76.43 2.25 14.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.49 -47.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -70.98 -31.35 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.842 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.148 2 O4'-C1'-N19 111.618 4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 2 O4'-C1'-N19 112.819 6.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.675 3 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C1'-N19 111.61 4.763 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.412 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.78 1 O4'-C4'-C3' 110.316 4.716 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.945 2 O4'-C1'-N19 112.73 6.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.615 " C4'" ' OP1' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.619 2.6 2 O4'-C1'-N19 115.015 9.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.615 ' OP1' " C4'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.392 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.612 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.61 1.695 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.532 " O3'" ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.546 ' OP1' ' NE ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.522 1.37 2 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.522 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.446 3 N19-C1'-C2' 105.79 -5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.429 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.499 -1.935 2 O4'-C1'-N19 112.557 5.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.476 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C4'-C3' 110.694 5.094 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.522 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.834 2 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.115 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C4'-C3' 110.509 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.426 ' N3 ' ' HZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 1.973 2 O4'-C1'-N19 113.176 6.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.249 5.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.49 ' P ' ' HD3' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.17 1 O4'-C4'-C3' 110.266 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.454 ' H73' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 2 O4'-C1'-N19 112.059 5.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.423 " H1'" ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.831 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.87 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.218 2 O4'-C4'-C3' 110.016 4.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.87 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 2 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 3 O4'-C1'-N19 112.575 5.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.541 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.236 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.541 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.652 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.17 84.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.562 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -133.72 45.06 1.42 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 3' ' ' THR . 54.1 Cg_endo -69.74 -37.87 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.757 2.304 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.84 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -10.6 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.783 2.322 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.01 149.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.82 -179.02 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 53.5 -153.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 4.8 m 85.07 -59.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' CG2' ' OP1' ' C' ' 118' ' ' ' DG' . 0.7 OUTLIER 48.4 96.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 4.4 ptt-85 -32.87 119.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -111.11 -33.11 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 84.89 161.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 176.96 63.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 3.0 m-20 -162.42 156.03 17.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.562 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 13.6 m-80 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.622 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.66 ' CE ' ' C4 ' ' B' ' 110' ' ' ' DG' . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 10.1 m-20 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' THR . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.64 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.1 mm-40 -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CG ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.725 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' HG21 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.481 ' HG2' ' CB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.601 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 25.8 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.628 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.577 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 22.9 t80 -36.57 -41.75 0.32 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.457 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 9.2 p30 -92.55 -30.74 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 177.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . -75.41 5.07 6.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.253 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.548 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.97 -46.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.679 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.31 -34.15 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.861 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.075 2 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 2 O4'-C1'-N19 112.41 5.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 2 O4'-C1'-N19 112.531 5.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.709 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.637 3 O4'-C4'-C3' 110.385 4.785 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.709 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.625 2 O4'-C1'-N19 111.807 5.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.444 ' OP2' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.614 2.116 1 O4'-C4'-C3' 110.345 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.458 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 2 O4'-C1'-N19 113.536 7.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.574 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 113.138 6.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.71 2 O4'-C1'-N19 114.314 8.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.66 ' C4 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.114 4.514 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.572 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.834 2 O4'-C1'-N19 112.398 5.748 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.595 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.443 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.311 3 N19-C1'-C2' 105.969 -5.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.414 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.045 2 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 2 O4'-C1'-N19 112.012 5.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.861 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.56 3 O4'-C4'-C3' 110.359 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.861 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.783 2 O4'-C4'-C3' 109.816 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.729 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.729 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 1 O4'-C4'-C3' 110.384 4.784 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.703 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 109.826 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.703 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.044 2 O4'-C1'-N19 112.816 6.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.406 " C5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.688 2 O4'-C1'-N19 113.086 6.607 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.556 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.492 -2.582 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.627 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 113.781 7.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.628 ' P ' ' HD2' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.595 2 O4'-C1'-N19 112.269 5.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C4'-C3' 109.86 4.26 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.174 2 O4'-C1'-N19 113.166 6.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.737 3 O4'-C1'-N19 112.561 5.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.544 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.141 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.544 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.942 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -50.18 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 4' ' ' PRO . 3.6 m -105.36 134.74 19.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 3' ' ' THR . 53.9 Cg_endo -69.99 97.92 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.284 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 1.4 mtm180 -130.85 -154.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.01 58.57 1.27 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.48 ' HB2' ' H62' ' C' ' 123' ' ' ' DA' . 55.0 Cg_endo -69.74 80.28 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.748 2.298 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -173.17 -170.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 63.29 -154.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' THR . 2.6 ttm180 -78.52 -168.85 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.55 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 156.46 -21.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ARG . 2.9 p 48.73 64.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.86 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.06 -160.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.1 tptt -131.22 166.93 20.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 164.07 97.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.5 m-20 159.19 143.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.538 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' O ' ' O ' ' A' ' 23' ' ' ARG . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.751 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.669 ' CE ' ' C4 ' ' B' ' 110' ' ' ' DG' . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.61 ' ND2' ' CD1' ' A' ' 31' ' ' PHE . 2.6 m-80 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 41' ' ' SER . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 44' ' ' PRO . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.612 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.618 ' O ' ' CB ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.704 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.704 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.888 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.751 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.622 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.549 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.9 t80 -37.0 -42.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -92.11 -30.26 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -78.7 10.71 3.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.573 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.42 -42.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.594 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.14 -31.87 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.79 178.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.053 2 O4'-C4'-C3' 110.354 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 2 O4'-C1'-N19 112.822 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.626 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.695 3 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.626 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.375 2 O4'-C1'-N19 111.304 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.499 -1.912 1 O4'-C4'-C3' 110.311 4.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.451 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C1'-N19 113.438 7.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.48 ' OP2' ' HB2' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.055 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.566 " O3'" ' CD1' ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.814 2 O4'-C1'-N19 115.141 9.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.669 ' C4 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.384 2 O4'-C4'-C3' 110.013 4.413 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.507 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.963 2 O4'-C1'-N19 112.041 5.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.615 ' C4 ' ' N4 ' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.523 1.53 2 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.615 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.482 3 N19-C1'-C2' 105.834 -5.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.428 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.065 2 O4'-C1'-N19 112.562 5.952 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.283 2 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.496 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.885 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.496 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.714 2 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C4'-C3' 110.111 4.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 1 O4'-C4'-C3' 110.426 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.457 ' N3 ' ' CZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C4'-C3' 109.739 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.184 2 O4'-C1'-N19 112.995 6.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.717 2 O4'-C1'-N19 112.819 6.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.556 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.523 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.67 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.304 2 O4'-C1'-N19 114.538 8.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.67 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.433 2 O4'-C1'-N19 112.938 6.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.802 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.024 2 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.802 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.594 2 O4'-C1'-N19 113.079 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.712 3 O4'-C1'-N19 112.457 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.532 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.136 4.536 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.532 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 2 O4'-C4'-C3' 110.679 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.2 t 61.63 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 p -140.94 148.17 51.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 96.51 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.52 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -179.44 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.8 Cg_exo -51.98 -162.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -97.98 160.62 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.89 16.36 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.534 ' O ' ' CG2' ' A' ' 11' ' ' THR . 2.9 tpp180 84.81 -64.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.541 ' CG2' ' OP1' ' C' ' 118' ' ' ' DG' . 0.2 OUTLIER 161.51 -168.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -30.85 109.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.009 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HD2' ' C7 ' ' B' ' 108' ' ' ' DT' . 3.4 mmp_? -37.1 160.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.027 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 16.1 mmmt -89.12 -153.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -91.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CE ' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER 57.57 91.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 159.68 146.83 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 92' ' ' LEU . 3.1 m-80 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.647 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.618 ' HE3' ' N9 ' ' B' ' 110' ' ' ' DG' . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' ' CD2' ' A' ' 31' ' ' PHE . 2.5 m-80 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.566 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' CZ ' ' OP2' ' B' ' 113' ' ' ' DC' . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.9 m-80 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.62 ' O ' ' CB ' ' A' ' 47' ' ' THR . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.5 mm-40 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' A' ' 52' ' ' GLY . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' CG1' ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.737 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.613 ' HD2' ' P ' ' C' ' 123' ' ' ' DA' . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.694 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.694 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.638 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.655 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.655 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.64 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 40.8 t80 -38.84 -40.4 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 4.2 p30 -93.57 -29.0 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.69 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . . . -77.11 5.93 7.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -135.88 -43.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HB2' ' CB ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -73.22 -32.22 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.807 178.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.067 2 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 2 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.841 2 O4'-C1'-N19 113.041 6.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 2 O4'-C1'-N19 111.751 4.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.403 " C2'" ' OP2' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C4'-C3' 109.965 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.147 1 O4'-C4'-C3' 110.339 4.739 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.181 2 O4'-C1'-N19 114.574 8.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.52 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.619 2.648 2 O4'-C1'-N19 113.398 6.997 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.654 ' C2 ' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 115.016 9.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.654 ' N7 ' ' C2 ' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.617 2.391 1 O4'-C4'-C3' 110.173 4.573 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.561 ' O2 ' ' CZ ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.844 2 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.574 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.534 2 O4'-C1'-N19 111.479 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.535 ' OP2' ' CZ ' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.463 3 N19-C1'-C2' 105.735 -5.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.425 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.073 2 O4'-C1'-N19 112.512 5.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 2 O4'-C4'-C3' 110.092 4.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.498 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.683 5.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.498 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.803 2 O4'-C4'-C3' 110.049 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.744 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 110.044 4.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.744 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C4'-C3' 110.411 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C4'-C3' 110.054 4.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.497 ' O2 ' ' OH ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.841 2 O4'-C1'-N19 112.558 5.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.481 " O3'" ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 113.775 7.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.613 ' P ' ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.494 -2.384 2 O4'-C4'-C3' 110.064 4.464 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.588 " C4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.073 2 O4'-C1'-N19 115.212 9.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.588 ' OP1' " C4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 2 O4'-C1'-N19 112.114 5.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C4'-C3' 109.898 4.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.742 2 O4'-C1'-N19 112.609 6.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.863 3 O4'-C1'-N19 114.187 7.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.514 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.978 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.514 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.051 2 O4'-C4'-C3' 110.625 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.736 0.303 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -47.77 -41.89 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER -171.83 140.6 1.16 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 3' ' ' THR . 54.0 Cg_exo -52.05 118.51 4.61 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.788 2.325 . . . . 0.0 112.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 28.4 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -139.82 45.65 0.9 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.64 153.09 69.93 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.777 2.318 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.98 168.97 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER 62.01 24.97 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.14 -39.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 3.0 m 79.39 24.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.2 OUTLIER 84.84 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.2 OUTLIER -32.83 115.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.011 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' N ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -121.12 -80.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.8 ttmt -161.71 144.06 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 170.83 90.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER 159.48 134.08 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.538 ' HG3' ' CD1' ' A' ' 92' ' ' LEU . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 m-80 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.653 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.607 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.826 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.686 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.552 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.565 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.725 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.565 ' CG1' ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.719 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.659 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.746 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.746 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.826 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.576 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.626 ' CD2' ' HD3' ' A' ' 21' ' ' PRO . 3.7 t80 -37.1 -51.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 7.0 m-80 -72.9 -36.59 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.52 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 87' ' ' LEU . . . -55.38 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -40.78 58.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.684 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -38.0 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.826 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.042 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.131 2 O4'-C1'-N19 113.899 7.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 2 O4'-C1'-N19 112.484 5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.81 2 O4'-C1'-N19 112.292 5.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 2 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.518 " C2'" ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.518 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.5 -1.811 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.431 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.59 2 O4'-C1'-N19 113.269 6.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.608 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C1'-N19 113.549 7.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.509 " O3'" ' CD1' ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.523 1.509 2 O4'-C1'-N19 113.678 7.348 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.607 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.125 1 O4'-C4'-C3' 109.924 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 112.244 5.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.61 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.384 2 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.466 3 N19-C1'-C2' 105.646 -5.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.429 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.002 2 O4'-C1'-N19 112.687 6.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.17 2 O4'-C1'-N19 111.728 4.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.479 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.989 1 O4'-C4'-C3' 110.642 5.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.511 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.061 2 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.054 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.255 1 O4'-C4'-C3' 110.357 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.818 " H4'" ' OP1' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.653 2 O4'-C1'-N19 111.767 4.959 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.818 ' OP1' " H4'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.706 2 O4'-C1'-N19 113.915 7.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.746 2 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.484 ' OP1' ' HD3' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.456 2 O4'-C4'-C3' 110.201 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.6 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.044 3 O4'-C1'-N19 114.552 8.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.6 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 2 O4'-C1'-N19 112.506 5.883 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.721 ' C4 ' ' C5 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C4'-C3' 110.0 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.721 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.333 2 O4'-C1'-N19 113.32 6.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.722 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.486 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.209 4.609 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.486 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 2 O4'-C4'-C3' 110.633 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -176.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -48.59 107.29 0.73 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.9 Cg_exo -51.97 -161.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 21.44 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 -78.51 -57.06 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.004 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.6 Cg_exo -52.12 137.87 53.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.01 104.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HD3' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -83.38 -68.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 11' ' ' THR . 4.3 ttp180 70.71 34.39 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 18.1 m -33.1 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.48 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 16.9 p 36.33 55.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 6.3 ptt85 -32.74 152.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -118.37 -19.85 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 85.87 174.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 1.2 pttp 166.07 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER 88.18 151.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.063 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 16' ' ' LYS . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.604 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.67 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.607 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.639 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.822 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 29' ' ' MET . 4.4 m-20 -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 35' ' ' ASN . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.565 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.8 mm-40 -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.706 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.6 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.684 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.822 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.59 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.565 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CG ' ' HE3' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.604 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.51 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.8 t80 -48.22 -40.16 23.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 4.1 m-80 -93.38 -31.88 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.707 177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -76.71 5.9 6.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.21 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.555 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -135.66 -42.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -70.94 -33.95 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.706 178.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.106 2 O4'-C1'-N19 111.636 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 113.19 6.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.662 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 3 O4'-C1'-N19 111.704 4.881 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.662 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 2 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.434 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.174 1 O4'-C4'-C3' 110.314 4.714 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.504 ' C5 ' ' C7 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 2 O4'-C1'-N19 113.181 6.727 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.504 ' C7 ' ' C5 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.95 2 O4'-C1'-N19 113.649 7.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.55 " O3'" ' CD1' ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.61 1.721 2 O4'-C1'-N19 114.226 8.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.639 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.148 2 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.571 " O4'" ' HD3' ' A' ' 36' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.685 2 O4'-C1'-N19 112.285 5.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.967 2 O4'-C4'-C3' 110.134 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.488 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.249 3 N19-C1'-C2' 106.035 -5.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.409 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.128 2 O4'-C1'-N19 112.118 5.397 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.035 2 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.861 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.519 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.861 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.719 2 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C4'-C3' 110.106 4.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.283 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.486 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.047 2 O4'-C1'-N19 112.713 6.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.577 ' C2 ' ' HE1' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.626 2 O4'-C1'-N19 112.594 5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.487 ' OP1' ' HD3' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.494 -2.431 1 O4'-C4'-C3' 110.171 4.571 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.633 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.021 2 O4'-C1'-N19 114.378 8.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.633 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 2 O4'-C1'-N19 111.848 5.06 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C4'-C3' 110.04 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.954 2 O4'-C1'-N19 112.151 5.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.696 3 O4'-C1'-N19 114.339 8.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.517 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.918 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.517 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.097 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 1' ' ' MET . 35.8 m -143.81 157.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.588 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -153.13 -68.62 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 3' ' ' THR . 54.3 Cg_endo -69.65 166.29 27.97 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.782 2.321 . . . . 0.0 112.303 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.449 ' CG ' ' C ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -160.72 60.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -45.0 -48.15 30.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_exo -52.01 113.8 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.772 2.315 . . . . 0.0 112.261 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -49.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 176.76 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -134.88 -172.8 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 66.54 139.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 156.4 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 1.0 OUTLIER -32.56 108.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -153.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -123.74 146.93 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.82 95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.3 m-20 159.02 143.02 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m-80 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HA ' ' HG3' ' A' ' 84' ' ' GLU . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.73 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.658 ' HE3' ' N3 ' ' B' ' 110' ' ' ' DG' . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 29' ' ' MET . 11.9 m-20 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 2.3 m-80 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HD2' " O3'" ' B' ' 111' ' ' ' DT' . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 35' ' ' ASN . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' GLN . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.549 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.701 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.479 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.602 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.552 ' HD2' HG22 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.688 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' CD ' " O5'" ' C' ' 125' ' ' ' DC' . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.616 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.727 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 6.3 t80 -34.24 -54.26 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 2.0 m-80 -73.78 -37.52 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.727 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.553 ' CB ' ' HA ' ' A' ' 87' ' ' LEU . . . -50.25 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.723 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.8 -38.72 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 177.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.727 ' HB2' ' O ' ' A' ' 88' ' ' TYR . 1.1 tm? -36.55 -65.22 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.121 2 O4'-C1'-N19 113.785 7.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 2 O4'-C1'-N19 112.492 5.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.462 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.476 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.662 3 O4'-C1'-N19 111.657 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.476 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 1 O4'-C4'-C3' 110.28 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.486 ' OP2' ' OG1' ' A' ' 12' ' ' THR . . . . . . . . 0 C5'--C4' 1.524 1.685 2 O4'-C1'-N19 113.241 6.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.53 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.2 2 O4'-C1'-N19 113.086 6.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.734 2 O4'-C1'-N19 114.252 8.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.658 ' N3 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.536 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.123 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.6 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.524 1.588 2 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.547 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.32 3 N19-C1'-C2' 105.651 -5.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.44 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.056 2 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.215 2 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.493 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.962 1 O4'-C4'-C3' 110.614 5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.493 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.744 2 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C4'-C3' 110.146 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 110.497 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.725 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C4'-C3' 109.855 4.255 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.725 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.082 2 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.501 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.524 1.575 2 O4'-C1'-N19 112.911 6.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.564 ' C8 ' ' C7 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.49 -2.753 2 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.574 " C4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 2 O4'-C1'-N19 113.608 7.261 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.574 ' OP1' " C4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 2 O4'-C1'-N19 111.921 5.151 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.862 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.013 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.862 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 2 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.548 5.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.499 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.499 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 1' ' ' MET . 2.4 p 166.88 110.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.459 ' HB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -79.78 -52.0 1.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 53.7 Cg_exo -51.92 159.54 3.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.309 . . . . 0.0 112.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 4.3 tpt180 178.5 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -136.05 56.85 15.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_exo -51.74 155.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -142.48 76.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -122.57 -55.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 170.47 166.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 12' ' ' THR . 5.3 m -33.17 94.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 2.0 t -54.55 -155.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 30.9 95.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -127.04 -166.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -60.22 144.6 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 3.9 tttm 169.19 145.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 7.8 m-20 68.75 137.57 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.555 ' CG ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 3.8 m-80 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.67 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.616 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.63 ' SD ' ' C4 ' ' B' ' 110' ' ' ' DG' . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.0 m-20 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.532 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CG ' ' A' ' 31' ' ' PHE . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' CB ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.527 ' CD ' HG21 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.679 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.679 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 17.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' NZ ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NE ' ' CA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.615 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.606 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.7 t80 -54.98 -38.68 68.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 9.5 p30 -95.44 -29.42 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.657 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -77.75 2.19 17.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.985 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.2 t -131.28 -45.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -74.13 -30.9 62.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.301 2 O4'-C1'-N19 113.954 7.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 2 O4'-C1'-N19 112.649 6.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.471 " H4'" ' OP1' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.921 2 O4'-C1'-N19 114.779 8.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.471 ' OP1' " H4'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.475 " C2'" ' OP2' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.092 2 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.703 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.124 1 O4'-C4'-C3' 110.387 4.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.703 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.497 -2.12 2 O4'-C1'-N19 114.183 7.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.549 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.51 2 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.052 2 O4'-C1'-N19 113.875 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.63 ' C4 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.178 4.578 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.557 " O3'" ' CD ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.122 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.565 ' C4 ' ' N4 ' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.812 2 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.565 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.443 3 N19-C1'-C2' 105.652 -5.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.435 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.153 2 O4'-C1'-N19 112.607 6.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 2 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.497 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.904 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.497 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C4'-C3' 110.022 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.123 1 O4'-C4'-C3' 110.109 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DA' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C4'-C3' 110.456 4.856 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.29 1 O4'-C4'-C3' 109.912 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.599 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.811 2 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DA' . . . . . 0.473 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.609 1.554 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.475 ' C8 ' ' H73' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.391 1 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.617 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.079 2 O4'-C1'-N19 114.523 8.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . 0.617 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.833 2 O4'-C1'-N19 112.443 5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.791 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 2 O4'-C1'-N19 111.984 5.23 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.791 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 2 O4'-C1'-N19 113.045 6.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.635 3 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.475 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ' DC' . . . . . 0.475 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.107 2 O4'-C4'-C3' 110.705 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.442 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 5.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.68 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.585 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.896 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.855 HD12 ' HB2' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' C ' ' CD ' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.855 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.7 mm100 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.926 HG22 HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.985 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.866 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.92 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.92 ' HD2' HG23 ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.599 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.714 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.571 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 19' ' ' ASN . 37.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' ALA . 21.9 m-80 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.978 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.57 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.72 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.978 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.748 ' O ' HD13 ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.959 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 38' ' ' ILE . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.617 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m120 -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.659 HG22 HD12 ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.567 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.987 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.7 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.76 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 30.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.0 m-20 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.882 0.372 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.528 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ALA . 1.4 m-80 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.713 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.722 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.766 ' HB2' HD23 ' A' ' 25' ' ' LEU . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.81 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.0 m120 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.79 ' O ' HD13 ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.72 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 38' ' ' ILE . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.79 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.623 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m120 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG23 HG12 ' A' ' 39' ' ' VAL . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.98 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.98 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.706 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.752 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 11.7 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' SER . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 42.4 t80 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.8 m120 -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.74 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.983 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.72 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.983 ' HB2' HD23 ' A' ' 25' ' ' LEU . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.8 m120 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.534 ' N ' HG22 ' A' ' 38' ' ' ILE . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.593 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.805 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.87 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' H ' HG22 ' A' ' 47' ' ' THR . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.938 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.595 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.784 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 23.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.758 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.614 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.736 ' HB2' HD23 ' A' ' 25' ' ' LEU . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.833 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.86 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.565 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.038 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 6.7 pt20 -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.833 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD2' HD13 ' A' ' 25' ' ' LEU . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.699 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.759 ' HA ' HD21 ' A' ' 87' ' ' LEU . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.707 ' N ' HD12 ' A' ' 87' ' ' LEU . 52.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.397 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.812 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.728 ' CE1' HD11 ' A' ' 62' ' ' LEU . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 38' ' ' ILE . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.584 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.839 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.796 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 59' ' ' TRP . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.713 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.57 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 37.3 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.748 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.764 ' HB2' HD23 ' A' ' 25' ' ' LEU . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.593 ' O ' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.2 m120 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 3.4 m120 -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 47' ' ' THR . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.8 mm-40 -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.789 ' O ' HD12 ' A' ' 62' ' ' LEU . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.718 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.624 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 25' ' ' LEU . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.552 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.572 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 83' ' ' SER . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.629 ' N ' HD23 ' A' ' 87' ' ' LEU . 27.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 20' ' ' ALA . 3.4 m-80 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.994 ' NH2' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.994 ' HB3' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.722 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.806 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.587 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.602 ' OD1' HD13 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.669 ' N ' HG22 ' A' ' 38' ' ' ILE . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.655 ' CB ' HD12 ' A' ' 46' ' ' ILE . 5.8 m120 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.938 ' O ' HG12 ' A' ' 51' ' ' VAL . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.513 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.67 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 47' ' ' THR . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD21 ' OD1' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' HD2' ' A' ' 64' ' ' PRO . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.922 ' HD2' HG23 ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.824 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.634 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.806 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.8 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.659 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 18' ' ' PRO . 35.3 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 1.9 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 1.8 m-80 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.648 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.686 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.744 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.95 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.9 m120 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.693 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' ILE . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.714 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.011 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.011 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.973 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.695 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.695 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.686 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.768 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 1.3 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 29' ' ' MET . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.837 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.836 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.6 m120 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' CG1' HG23 ' A' ' 51' ' ' VAL . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG23 ' CG1' ' A' ' 39' ' ' VAL . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.604 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.966 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.966 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.618 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.544 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.586 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.557 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 87' ' ' LEU . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.0 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 m-80 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.696 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.867 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.953 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.6 m120 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.847 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 ' N ' HG22 ' A' ' 38' ' ' ILE . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.576 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.725 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.876 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HG3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 47' ' ' THR . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.639 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.6 pt20 -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.696 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.594 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.62 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 35.1 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.897 0.38 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' HD21 ' A' ' 87' ' ' LEU . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.711 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.573 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.964 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.4 m120 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' O ' HD13 ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 38' ' ' ILE . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.7 ' HB2' HD11 ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' HB ' ' A' ' 51' ' ' VAL . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.498 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.2 mt-30 -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.715 ' HB ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.64 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.663 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 58' ' ' LYS . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.597 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.959 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.632 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.847 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.7 pt20 -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.711 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.671 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.552 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD21 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 52.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.865 0.364 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.4 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 6.5 m-80 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.719 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.1 m120 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.791 ' C ' HG23 ' A' ' 47' ' ' THR . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 12.5 mm-40 -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.562 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.927 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.927 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.854 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' HD13 ' A' ' 25' ' ' LEU . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.558 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.596 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.541 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.652 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.9 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 3.0 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 13.6 m-80 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' OD2' ' A' ' 77' ' ' ASP . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.589 ' H ' ' HG2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.819 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.5 m120 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.604 ' OD2' HD13 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.689 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.689 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.587 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.645 ' HB ' ' CB ' ' A' ' 50' ' ' GLN . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' A' ' 39' ' ' VAL . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.594 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 35' ' ' ASN . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.89 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.602 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.819 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.552 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 16.6 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.646 ' OD2' ' HB1' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 22.9 t80 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 3.5 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 88' ' ' TYR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.619 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.757 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.005 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.0 m120 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.632 ' HB2' HD11 ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.92 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 47' ' ' THR . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.889 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.6 pt20 -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.757 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.9 t80 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.943 0.402 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.662 ' HD3' ' CD1' ' A' ' 88' ' ' TYR . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD23 ' HB2' ' A' ' 29' ' ' MET . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.851 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.3 m120 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.632 ' NE ' HD13 ' A' ' 55' ' ' LEU . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG1' HG23 ' A' ' 51' ' ' VAL . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.639 ' CB ' HD13 ' A' ' 46' ' ' ILE . 5.1 m120 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 43' ' ' ASN . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.1 mm100 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.616 HG23 ' CG1' ' A' ' 39' ' ' VAL . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 ' NE ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.795 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.924 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.924 ' HD2' HG23 ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.665 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.66 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.662 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 40.8 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.952 0.406 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 m-80 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.657 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.738 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.009 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.825 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.843 ' O ' HD13 ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.834 ' C ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' C ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.664 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.558 ' HB3' HG12 ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' CA ' ' A' ' 51' ' ' VAL . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.851 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.685 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.01 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 6.4 pt20 -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.825 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.576 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.737 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.897 ' N ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.674 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.989 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.788 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.989 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' NE ' ' A' ' 36' ' ' ARG . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.684 ' NE ' ' HB1' ' A' ' 32' ' ' ALA . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.971 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.734 ' N ' HG22 ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.645 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 52' ' ' GLY . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' HA ' ' A' ' 54' ' ' LYS . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.917 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.917 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.823 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.578 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.565 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.674 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.594 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.652 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.8 t80 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.577 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.943 0.402 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.603 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m-80 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.739 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.579 ' H ' ' HG2' ' A' ' 29' ' ' MET . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.946 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.7 m120 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.952 ' O ' HD13 ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.1 m120 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.038 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.877 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.797 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.801 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.944 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.944 ' N ' HD23 ' A' ' 87' ' ' LEU . 6.3 t80 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 7.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 3.8 m-80 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.668 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.823 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.596 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.564 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 17.5 mm-40 -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.981 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' HG23 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.59 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.521 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.675 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.531 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.613 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.7 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 2' ' ' VAL . 2.1 m -72.38 -18.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -119.4 89.1 39.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.94 132.27 41.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.76 2.307 . . . . 0.0 112.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -94.31 24.23 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 7' ' ' PRO . 23.1 tt0 -101.34 144.15 28.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 6' ' ' GLU . 53.5 Cg_exo -52.2 141.25 49.52 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.749 2.299 . . . . 0.0 112.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 49.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.72 92.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' HG23 ' A' ' 11' ' ' THR . 1.2 ptm180 -131.13 136.1 48.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.852 HG21 " H2'" ' C' ' 118' ' ' ' DG' . 0.2 OUTLIER 161.12 120.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.34 48.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' NH2' ' OP2' ' B' ' 107' ' ' ' DA' . 22.5 mmm-85 -36.14 151.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.5 OUTLIER -61.13 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.4 tttp -94.01 174.47 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 17.0 ttpp 168.12 82.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 5.3 m-20 157.35 150.28 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.975 ' CG ' HD22 ' A' ' 92' ' ' LEU . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.68 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.936 HD21 H5'' ' B' ' 110' ' ' ' DG' . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.585 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.896 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' NH2' ' OP2' ' B' ' 113' ' ' ' DC' . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.855 HD12 ' HB2' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.47 HG22 " H4'" ' B' ' 113' ' ' ' DC' . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.645 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' C ' ' CD ' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.855 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.7 mm100 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.926 HG22 HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.985 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.866 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HE3' " O3'" ' C' ' 122' ' ' ' DA' . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.92 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.92 ' HD2' HG23 ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.599 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.714 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.571 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.786 ' O ' HD23 ' A' ' 92' ' ' LEU . 37.7 t80 -36.39 -41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -92.35 -31.03 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.21 11.45 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.259 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.521 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -141.75 -41.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.975 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -74.81 -32.75 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.78 178.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.217 2 O4'-C1'-N19 111.633 4.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 111.986 5.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 2 O4'-C1'-N19 112.644 6.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.581 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.61 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.581 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 2 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.454 ' OP2' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.171 1 O4'-C4'-C3' 110.231 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.534 ' OP2' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.658 2 O4'-C1'-N19 113.45 7.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.529 ' C7 ' ' C5 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.132 2 O4'-C1'-N19 114.116 7.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.52 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 1.952 2 O4'-C1'-N19 114.081 7.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.936 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.231 2 O4'-C4'-C3' 110.142 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.163 5.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.436 2 O4'-C4'-C3' 110.117 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.518 ' OP2' ' NH2' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.494 -2.401 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.052 2 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.518 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.883 1 O4'-C4'-C3' 110.664 5.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.852 " H2'" HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.063 1 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.607 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.145 1 O4'-C4'-C3' 109.799 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.041 2 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.592 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.706 2 O4'-C1'-N19 112.778 6.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.586 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.7 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 2 O4'-C1'-N19 114.132 7.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.7 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 2 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.064 1 O4'-C4'-C3' 109.88 4.28 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.156 2 O4'-C1'-N19 113.3 6.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.612 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.96 1 O4'-C4'-C3' 110.147 4.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.612 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 2 O4'-C4'-C3' 110.631 5.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.745 0.307 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.51 11.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 m -107.19 80.82 0.89 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -52.05 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 46.52 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -86.15 -44.81 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 56.6 Cg_exo -51.58 -175.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -160.0 -39.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' THR . 6.8 mtt180 -35.21 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.8 m -33.28 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 53.0 81.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.29 115.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.56 168.07 16.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 143.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -175.99 126.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 85.63 149.39 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.896 ' CG ' HD22 ' A' ' 92' ' ' LEU . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' ALA . 7.1 m120 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.57 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.764 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.978 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.748 ' O ' HD13 ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.959 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 38' ' ' ILE . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.617 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m120 -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.659 HG22 HD12 ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.567 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.987 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.7 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.76 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.717 ' O ' HD23 ' A' ' 92' ' ' LEU . 30.3 t80 -37.11 -39.91 0.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 3.4 m-20 -93.98 -29.97 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.766 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.31 4.03 7.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.89 -46.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.896 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -71.31 -31.25 67.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' HD12 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.204 2 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 2 O4'-C1'-N19 112.036 5.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 2 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.597 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.704 3 O4'-C4'-C3' 110.358 4.758 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.597 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.533 2 O4'-C1'-N19 112.01 5.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.485 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.499 -1.926 1 O4'-C4'-C3' 110.23 4.63 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.472 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.866 3 O4'-C1'-N19 113.357 6.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.521 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.223 2 O4'-C1'-N19 113.213 6.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.533 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 114.609 8.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.982 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.579 2 O4'-C4'-C3' 110.046 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.506 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.538 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.329 3 N19-C1'-C2' 105.736 -5.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.416 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.003 2 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.321 2 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.5 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.5 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.603 2 O4'-C4'-C3' 109.951 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 110.376 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.651 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 1 O4'-C4'-C3' 109.75 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.651 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.989 2 O4'-C1'-N19 112.556 5.945 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.45 ' H2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.609 1.552 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.176 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.487 ' OP1' ' HD2' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.988 2 O4'-C1'-N19 112.575 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C4'-C3' 109.986 4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.154 2 O4'-C1'-N19 113.192 6.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.404 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.728 3 O4'-C1'-N19 112.364 5.705 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.609 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.609 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.105 2 O4'-C4'-C3' 110.624 5.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.8 m 36.35 92.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.83 89.19 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 94.17 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.265 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.14 60.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 3.8 mp0 -112.99 150.01 42.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.01 174.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.772 2.314 . . . . 0.0 112.233 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 171.1 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' ARG . 2.8 ttmm -173.23 91.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' O ' HG23 ' A' ' 11' ' ' THR . 4.6 mtp85 36.55 -157.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 161.25 -61.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 43.82 68.3 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.27 141.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -122.93 -90.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 2.8 ttpt -154.2 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 16.3 ttpp 54.03 75.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m-20 158.59 126.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CG ' HD22 ' A' ' 92' ' ' LEU . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.431 ' OD1' ' CG2' ' A' ' 91' ' ' THR . 2.0 m120 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.713 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.919 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.773 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.773 ' HE2' ' HB3' ' A' ' 28' ' ' TYR . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.81 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.0 m120 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.79 ' O ' HD13 ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.72 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 38' ' ' ILE . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.79 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.623 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m120 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG23 HG12 ' A' ' 39' ' ' VAL . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.98 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.98 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.706 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.607 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.752 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 11.7 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' SER . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.743 ' O ' HD23 ' A' ' 92' ' ' LEU . 42.4 t80 -37.03 -41.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -92.81 -29.76 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.54 9.92 3.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -139.86 -42.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.834 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.47 -31.56 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.806 178.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.158 2 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.517 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.388 5.735 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.786 2 O4'-C4'-C3' 110.37 4.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.494 2 O4'-C1'-N19 112.664 6.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 1 O4'-C4'-C3' 110.252 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.46 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.852 3 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.56 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C1'-N19 112.673 6.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.608 1.525 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.919 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.573 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.063 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.461 2 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.399 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.4 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.036 2 O4'-C1'-N19 112.477 5.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.637 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.515 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.007 1 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.526 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 2 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.142 1 O4'-C4'-C3' 110.24 4.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.002 1 O4'-C4'-C3' 110.409 4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.722 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 109.775 4.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.722 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.984 2 O4'-C1'-N19 112.673 6.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.485 " O3'" ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.617 2 O4'-C1'-N19 112.708 6.135 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.546 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.227 1 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.541 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.912 2 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.402 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.895 2 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 109.926 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.169 2 O4'-C1'-N19 113.116 6.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.401 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.367 5.709 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.621 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.018 1 O4'-C4'-C3' 110.145 4.545 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.621 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C4'-C3' 110.708 5.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -137.41 120.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -148.02 116.95 4.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 50.9 Cg_endo -69.03 167.05 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 174.06 -66.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.17 128.53 81.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . 56.2 Cg_exo -51.52 101.61 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.757 2.304 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmpt? -38.13 120.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 10.3 mmtm -56.38 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 11' ' ' THR . 1.5 ttp-105 -36.66 -72.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 12' ' ' THR . 37.2 m 64.79 -90.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.601 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.0 OUTLIER 36.72 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.9 OUTLIER -32.86 121.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.039 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -154.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 5.5 mttt -105.22 148.38 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 18.0 ttpp 167.98 76.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 159.05 150.36 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.758 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' ND2' HG21 ' A' ' 91' ' ' THR . 2.8 m120 -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.74 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.983 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.742 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.983 ' HB2' HD23 ' A' ' 25' ' ' LEU . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.8 m120 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.534 ' N ' HG22 ' A' ' 38' ' ' ILE . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.593 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.805 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.87 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.938 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.595 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.784 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HD3' " C3'" ' C' ' 125' ' ' ' DC' . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.643 ' O ' HD23 ' A' ' 92' ' ' LEU . 23.8 t80 -36.94 -41.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.456 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 6.3 p30 -92.63 -30.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -73.9 3.39 6.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.569 HG21 ' ND2' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -131.95 -47.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.758 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -63.45 -36.83 85.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.762 178.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.128 2 O4'-C1'-N19 113.857 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 2 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.833 2 O4'-C1'-N19 112.628 6.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.706 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.606 3 O4'-C4'-C3' 110.407 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.706 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.496 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.462 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.51 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.557 2 O4'-C1'-N19 113.468 7.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.523 ' OP2' ' CA ' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.887 2 O4'-C1'-N19 113.721 7.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.492 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.955 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C4'-C3' 110.094 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.13 2 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.616 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.484 2 O4'-C1'-N19 111.539 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.365 3 N19-C1'-C2' 105.679 -5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.427 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.983 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 2 O4'-C4'-C3' 110.175 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.495 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.755 5.155 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.495 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.12 1 O4'-C4'-C3' 110.181 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C4'-C3' 110.453 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.706 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.154 1 O4'-C4'-C3' 109.765 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.706 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C1'-N19 112.539 5.923 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 112.301 5.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.542 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.492 1 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.836 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.768 1 O4'-C1'-N19 113.712 7.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.836 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.956 2 O4'-C1'-N19 113.141 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.005 1 O4'-C4'-C3' 109.819 4.219 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.155 2 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.405 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.716 3 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.581 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.188 4.588 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.581 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 2' ' ' VAL . 27.8 m -119.38 87.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 128.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.95 101.37 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -31.67 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.8 mp0 -116.89 83.27 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 151.91 69.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 117.87 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' C ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -141.79 160.82 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.424 ' OG1' ' C ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 57.66 176.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 74.78 25.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 3.3 ptt180 -34.25 155.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.901 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.1 mtmt -141.37 49.72 1.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 53.68 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 5.3 ttpp 158.43 70.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.758 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 m-20 156.71 142.87 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.679 ' HG2' HD22 ' A' ' 92' ' ' LEU . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' OD1' ' HB3' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.614 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.846 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.736 ' HB2' HD23 ' A' ' 25' ' ' LEU . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.833 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.86 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.608 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.565 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.487 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.038 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 6.7 pt20 -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.833 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD2' HD13 ' A' ' 25' ' ' LEU . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.699 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.759 ' HA ' HD21 ' A' ' 87' ' ' LEU . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.707 ' N ' HD12 ' A' ' 87' ' ' LEU . 52.2 t80 -34.06 -65.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 m-80 -56.63 -40.7 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -71.13 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.573 HG22 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -32.3 -57.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.29 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -58.84 -45.08 90.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -178.65 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.506 -1.247 2 O4'-C1'-N19 113.907 7.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.057 2 O4'-C1'-N19 112.811 6.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 2 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.708 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.608 1.543 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.708 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.615 2 O4'-C1'-N19 112.402 5.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 1 O4'-C4'-C3' 110.33 4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.553 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.234 2 O4'-C1'-N19 114.302 8.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.557 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.733 2 O4'-C1'-N19 112.771 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.509 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.149 2 O4'-C1'-N19 113.925 7.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.846 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.188 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.255 2 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.608 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.553 2 O4'-C1'-N19 111.783 4.978 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.54 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.396 3 N19-C1'-C2' 105.65 -5.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.428 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.014 2 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C4'-C3' 110.143 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.499 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.921 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.499 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 2 O4'-C4'-C3' 109.991 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.117 1 O4'-C4'-C3' 110.137 4.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C4'-C3' 110.445 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.665 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.2 1 O4'-C4'-C3' 109.847 4.247 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.665 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 2 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.589 2 O4'-C1'-N19 112.449 5.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.539 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.19 1 O4'-C4'-C3' 110.179 4.579 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.02 2 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.402 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C4'-C3' 109.904 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.226 2 O4'-C1'-N19 113.196 6.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 3 O4'-C1'-N19 112.605 6.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.58 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.931 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.58 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.94 2 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' THR . 7.4 p -56.03 143.87 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 4' ' ' PRO . 16.5 p -37.32 159.53 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 3' ' ' THR . 53.2 Cg_endo -69.8 -11.75 31.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.4 36.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.4 81.4 5.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 123.6 10.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 28.5 tptt -116.89 73.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mttm 159.42 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -63.88 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ARG . 3.5 m 83.61 -10.03 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.934 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 17.8 p -33.37 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.08 151.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -132.48 -91.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -91.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 8.2 ttpp 47.56 73.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.5 m-20 158.82 135.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.922 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' OD1' ' CG2' ' A' ' 91' ' ' THR . 2.3 m120 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.872 HD21 H5'' ' B' ' 110' ' ' ' DG' . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.812 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.728 ' CE1' HD11 ' A' ' 62' ' ' LEU . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 38' ' ' ILE . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.584 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.839 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.796 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 59' ' ' TRP . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.713 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.57 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.824 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.661 ' O ' HD23 ' A' ' 92' ' ' LEU . 37.3 t80 -36.68 -42.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -92.56 -30.25 15.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 177.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.06 4.05 7.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -132.5 -46.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.922 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.36 -34.15 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.829 179.067 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.087 2 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 2 O4'-C1'-N19 112.659 6.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 2 O4'-C1'-N19 112.923 6.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.603 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.588 3 O4'-C4'-C3' 110.332 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.603 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.681 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.195 1 O4'-C4'-C3' 110.403 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.681 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.186 2 O4'-C1'-N19 114.015 7.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.535 " C5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.628 2 O4'-C1'-N19 112.737 6.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.512 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.18 2 O4'-C1'-N19 113.704 7.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.872 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.14 2 O4'-C4'-C3' 110.151 4.551 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.598 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.197 2 O4'-C1'-N19 112.216 5.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.6 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.418 2 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.557 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.338 3 N19-C1'-C2' 105.724 -5.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.422 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.101 2 O4'-C1'-N19 112.459 5.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 2 O4'-C4'-C3' 110.121 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.506 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.506 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.821 2 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.934 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.168 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C4'-C3' 110.421 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.716 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.217 1 O4'-C4'-C3' 109.873 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.716 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 2 O4'-C1'-N19 112.711 6.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.435 " O4'" ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.609 1.581 2 O4'-C1'-N19 112.487 5.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.609 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.5 -1.819 1 O4'-C4'-C3' 110.195 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.672 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 114.726 8.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.672 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.547 2 O4'-C1'-N19 111.901 5.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C4'-C3' 109.863 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C1'-N19 113.107 6.633 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C5 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.835 3 O4'-C1'-N19 112.682 6.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.642 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.149 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.642 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.066 2 O4'-C4'-C3' 110.581 4.981 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.53 76.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.593 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.51 -43.12 0.82 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 3' ' ' THR . 53.5 Cg_exo -52.01 101.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -13.05 11.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.88 134.89 23.23 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 121.54 8.26 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.764 2.31 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -101.46 25.22 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 2.2 mttm 174.73 153.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -132.28 150.76 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.976 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.722 ' C ' HG22 ' A' ' 12' ' ' THR . 24.2 p 53.4 164.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.722 HG22 ' C ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 156.62 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.653 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -31.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -78.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -153.58 147.85 25.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER 169.16 132.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-20 85.04 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG2' HD22 ' A' ' 92' ' ' LEU . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.775 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.775 ' HE2' ' HB3' ' A' ' 28' ' ' TYR . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 29' ' ' MET . 7.8 m-20 -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.593 ' O ' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.2 m120 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 3.4 m120 -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 47' ' ' THR . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.8 mm-40 -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CD ' " O5'" ' C' ' 121' ' ' ' DC' . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.789 ' O ' HD12 ' A' ' 62' ' ' LEU . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.718 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.624 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 25' ' ' LEU . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.552 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.572 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 83' ' ' SER . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.801 ' O ' HD23 ' A' ' 92' ' ' LEU . 27.4 t80 -35.94 -42.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 26.6 m-80 -92.72 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.932 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -74.46 2.64 9.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.231 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.1 -45.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.679 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -70.27 -31.96 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.206 2 O4'-C1'-N19 111.68 4.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 2 O4'-C1'-N19 112.032 5.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.929 2 O4'-C1'-N19 112.507 5.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.55 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.698 3 O4'-C4'-C3' 110.34 4.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.55 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.434 2 O4'-C1'-N19 112.002 5.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.532 ' C6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.025 1 O4'-C4'-C3' 110.414 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.547 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.184 2 O4'-C1'-N19 114.254 8.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.575 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.845 2 O4'-C1'-N19 112.678 6.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 ' O2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 113.931 7.664 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.821 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C4'-C3' 110.167 4.567 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.59 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.59 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.547 2 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.356 3 N19-C1'-C2' 106.014 -5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.498 -1.967 2 O4'-C1'-N19 112.251 5.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.022 2 O4'-C1'-N19 112.078 5.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.941 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 3 O4'-C4'-C3' 110.343 4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.941 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.687 2 O4'-C4'-C3' 109.749 4.149 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.045 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C4'-C3' 110.39 4.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C4'-C3' 109.694 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.605 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.611 1.761 2 O4'-C1'-N19 112.736 6.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.594 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.629 2 O4'-C1'-N19 112.449 5.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.495 -2.321 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.534 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.193 2 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.438 H2'' ' N7 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 2 O4'-C1'-N19 113.115 6.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C4'-C3' 109.961 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.159 2 O4'-C1'-N19 113.191 6.738 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.612 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C4'-C3' 110.155 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.612 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 2' ' ' VAL . 8.3 p -150.78 48.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 57.82 126.46 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.97 -30.62 21.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 7.3 mmm180 72.65 168.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.26 78.91 67.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.91 157.45 60.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.759 2.306 . . . . 0.0 112.271 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -158.8 -43.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 pttp 171.28 162.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' NE ' ' O4 ' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -153.2 -81.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.791 HG21 ' OP2' ' C' ' 119' ' ' ' DA' . 27.8 p 58.22 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' C ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 156.93 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -33.13 153.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? 69.47 84.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 -47.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER -118.71 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -163.68 117.03 1.05 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 1.012 ' HG2' HD22 ' A' ' 92' ' ' LEU . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.6 m120 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.994 ' NH2' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.994 ' HB3' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.877 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.722 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.806 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.587 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.602 ' OD1' HD13 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.669 ' N ' HG22 ' A' ' 38' ' ' ILE . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.655 ' CB ' HD12 ' A' ' 46' ' ' ILE . 5.8 m120 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.938 ' O ' HG12 ' A' ' 51' ' ' VAL . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.513 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.67 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 47' ' ' THR . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD21 ' OD1' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HE2' ' OP1' ' C' ' 123' ' ' ' DA' . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' HD2' ' A' ' 64' ' ' PRO . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.922 ' HD2' HG23 ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.824 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.634 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.806 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.8 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.659 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.778 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.754 ' O ' HD23 ' A' ' 92' ' ' LEU . 35.3 t80 -38.1 -39.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -93.9 -29.24 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.819 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.08 4.19 8.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -134.81 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.012 HD22 ' HG2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -73.68 -30.23 62.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.925 179.074 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.119 2 O4'-C1'-N19 113.857 7.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.009 2 O4'-C1'-N19 112.593 5.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.763 2 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.707 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 3 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.707 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.055 2 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.528 ' O4 ' ' NE ' ' A' ' 10' ' ' ARG . . . . . . . . 0 P--O5' 1.613 1.998 2 O4'-C1'-N19 113.874 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.578 ' O2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 115.136 9.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.877 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.452 2 O4'-C4'-C3' 110.127 4.527 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.595 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.134 2 O4'-C1'-N19 111.987 5.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.595 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.378 2 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.568 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.263 3 N19-C1'-C2' 105.775 -5.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.419 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.116 2 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 2 O4'-C4'-C3' 110.107 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.496 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.496 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.819 2 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.791 ' OP2' HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.171 1 O4'-C4'-C3' 110.435 4.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.562 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C4'-C3' 109.877 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.587 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.43 ' C2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.606 2 O4'-C1'-N19 112.573 5.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.523 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.384 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.551 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.9 2 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 2 O4'-C1'-N19 112.756 6.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.294 1 O4'-C4'-C3' 109.792 4.192 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.616 2.309 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.761 3 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.579 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C4'-C3' 110.208 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.579 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.061 2 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 2' ' ' VAL . 6.2 p -148.19 24.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.55 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 7.5 m -44.48 -55.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 3' ' ' THR . 48.6 Cg_endo -68.83 104.62 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -95.84 -178.27 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' OE2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.1 OUTLIER -100.56 162.2 21.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' GLU . 54.2 Cg_exo -51.85 -164.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.64 135.3 50.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? 178.9 145.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB3' ' P ' ' C' ' 119' ' ' ' DA' . 0.1 OUTLIER -95.94 -72.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -33.28 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER 62.72 -178.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.672 ' H ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER 29.01 82.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -85.45 -89.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 10.9 tttp -165.98 -91.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 11.3 pttp 49.44 173.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 1.9 m-20 71.76 135.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.732 ' HG3' HD23 ' A' ' 92' ' ' LEU . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m120 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.648 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.686 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.96 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.786 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.95 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.9 m120 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.693 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' ILE . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.714 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.011 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.011 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.973 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.695 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.695 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.536 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.686 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.88 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 -49.72 -40.42 40.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -93.67 -31.05 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.724 176.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.88 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -64.8 -10.62 29.31 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -123.38 -41.01 2.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.351 178.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 tm? -46.8 -46.69 20.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.272 2 O4'-C1'-N19 113.904 7.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 2 O4'-C1'-N19 112.663 6.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 2 O4'-C1'-N19 112.701 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.7 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.691 3 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.7 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.571 5.964 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.564 ' N7 ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C3'--C2' 1.501 -1.728 1 O4'-C4'-C3' 110.098 4.498 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.521 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 3 O4'-C1'-N19 113.478 7.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.521 ' H71' ' C8 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.905 2 O4'-C1'-N19 113.653 7.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.668 1 O4'-C1'-N19 114.914 8.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.96 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.431 2 O4'-C4'-C3' 110.051 4.451 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.238 2 O4'-C1'-N19 112.332 5.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.612 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 111.663 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.527 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.364 3 N19-C1'-C2' 105.664 -5.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.415 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.985 2 O4'-C1'-N19 112.499 5.874 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 2 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.494 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.013 1 O4'-C4'-C3' 110.67 5.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.494 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.66 2 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C4'-C3' 110.063 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.714 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C4'-C3' 109.818 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.714 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.878 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.45 ' H2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.523 1.542 2 O4'-C1'-N19 112.583 5.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.575 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.312 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.858 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.865 1 O4'-C1'-N19 114.269 8.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.858 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.263 2 O4'-C1'-N19 113.282 6.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.191 1 O4'-C4'-C3' 109.786 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 2 O4'-C1'-N19 113.214 6.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.641 6.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.584 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.988 1 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.584 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.128 2 O4'-C4'-C3' 110.697 5.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -36.63 -39.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.7 m -145.88 130.55 8.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.284 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.31 -13.03 61.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.0 132.43 8.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 54.0 Cg_endo -69.79 -3.25 11.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.748 2.299 . . . . 0.0 112.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 68.21 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.92 162.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 67.85 175.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.734 HG23 ' P ' ' B' ' 107' ' ' ' DA' . 1.2 m 155.94 -20.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 12' ' ' THR . 98.4 m 48.35 36.31 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -30.72 128.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.159 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 21.9 mtpt 85.11 87.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 169.71 51.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 158.86 94.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.768 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 1.3 p30 158.73 121.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.856 ' CG ' HD22 ' A' ' 92' ' ' LEU . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.586 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.939 HD21 H5'' ' B' ' 110' ' ' ' DG' . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.837 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.836 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.6 m120 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' CG1' HG23 ' A' ' 51' ' ' VAL . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG23 ' CG1' ' A' ' 39' ' ' VAL . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.966 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HE3' " O3'" ' C' ' 122' ' ' ' DA' . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.966 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.618 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.545 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.586 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.557 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.663 ' CE ' ' P ' ' C' ' 127' ' ' ' DC' . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.609 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 92' ' ' LEU . 50.0 t80 -37.39 -40.87 0.39 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -92.13 -30.75 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.791 177.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.58 10.39 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.586 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.7 -42.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -77.89 -29.49 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.159 2 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 2 O4'-C1'-N19 111.956 5.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.868 2 O4'-C1'-N19 112.623 6.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 2 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.434 H2'' ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C4'-C3' 110.066 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.434 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.929 1 O4'-C4'-C3' 110.21 4.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.734 ' P ' HG23 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.928 3 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.589 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.093 2 O4'-C1'-N19 113.264 6.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.608 1.501 2 O4'-C1'-N19 114.163 7.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.939 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.593 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.27 2 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.599 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.511 2 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.491 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.342 3 N19-C1'-C2' 105.705 -5.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.417 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.977 2 O4'-C1'-N19 112.732 6.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.667 4.833 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.509 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C4'-C3' 110.674 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.509 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 2 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.128 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.737 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C4'-C3' 109.793 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.737 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.165 2 O4'-C1'-N19 112.84 6.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.523 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.61 1.705 2 O4'-C1'-N19 112.787 6.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.517 2 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.727 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.353 2 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.727 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.849 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 2 O4'-C1'-N19 112.344 5.68 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.849 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 112.913 6.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 2 O4'-C1'-N19 112.274 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.626 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.892 1 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.626 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.166 2 O4'-C4'-C3' 110.676 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.568 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 3' ' ' THR . 7.2 t 83.7 113.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 174.83 123.2 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.0 -163.08 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 31.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -68.86 138.34 90.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.74 2.63 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 150.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -114.84 157.02 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' THR . 2.1 tpt180 -87.73 -48.2 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 10' ' ' ARG . 2.4 t 42.96 83.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.0 OUTLIER -33.11 106.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.2 OUTLIER -33.72 154.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.4 OUTLIER -118.9 -153.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.817 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -139.83 154.75 47.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.983 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.68 174.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 67.53 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.848 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.5 m120 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.696 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 H5'' ' B' ' 110' ' ' ' DG' . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.669 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.953 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.6 m120 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.847 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 ' N ' HG22 ' A' ' 38' ' ' ILE . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.576 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.725 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.876 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HG3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 47' ' ' THR . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.639 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.6 pt20 -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.696 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.594 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.751 ' O ' HD23 ' A' ' 92' ' ' LEU . 35.1 t80 -54.39 -38.53 66.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -95.32 -29.86 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.677 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.03 2.42 15.01 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.95 -45.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.643 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -73.44 -30.76 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.063 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C1'-N19 112.071 5.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.933 2 O4'-C1'-N19 112.597 5.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.714 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.623 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.714 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 2 O4'-C1'-N19 112.563 5.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C4'-C3' 110.174 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.465 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 3 O4'-C1'-N19 112.837 6.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.583 ' C2 ' ' HD2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.037 2 O4'-C1'-N19 113.069 6.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.64 ' O2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.525 1.773 2 O4'-C1'-N19 114.919 8.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.989 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 114.325 8.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 ' OP1' " H4'" ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 3 O4'-C1'-N19 112.357 5.696 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.613 ' P ' ' HG3' ' A' ' 36' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.653 2 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.634 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.495 -2.285 3 N19-C1'-C2' 105.722 -5.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.406 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.08 2 O4'-C1'-N19 112.447 5.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 2 O4'-C1'-N19 111.716 4.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.524 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.081 1 O4'-C4'-C3' 110.639 5.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.524 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 2 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.149 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.692 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.215 1 O4'-C4'-C3' 110.48 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.474 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.185 1 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.622 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.99 2 O4'-C1'-N19 112.767 6.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.608 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.526 1.875 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.673 " H4'" ' OP1' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.561 3 O4'-C1'-N19 112.869 6.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.673 ' OP1' " H4'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.445 2 O4'-C1'-N19 112.375 5.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.183 1 O4'-C4'-C3' 109.764 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.243 2 O4'-C1'-N19 113.146 6.682 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 3 O4'-C1'-N19 112.482 5.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.628 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.993 1 O4'-C4'-C3' 110.169 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.628 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG13 ' A' ' 2' ' ' VAL . 2.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 1' ' ' MET . 13.8 m -160.35 162.57 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 ' H73' ' B' ' 105' ' ' ' DT' . 0.2 OUTLIER -48.4 132.42 13.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 53.8 Cg_exo -51.97 -64.12 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.277 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 12.4 mtp180 -173.63 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -130.29 114.37 17.2 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 129.31 17.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -75.64 94.15 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.65 112.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -74.61 149.09 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.855 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 30.5 p 42.97 27.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.4 t -34.28 -43.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.45 148.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.79 107.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.23 126.12 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 82.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER 171.07 130.59 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.799 ' CG ' HD22 ' A' ' 92' ' ' LEU . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' HD21 ' A' ' 87' ' ' LEU . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.711 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.964 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.4 m120 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' O ' HD13 ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 38' ' ' ILE . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.7 ' HB2' HD11 ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' HB ' ' A' ' 51' ' ' VAL . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.498 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.2 mt-30 -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.715 ' HB ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.64 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.663 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 58' ' ' LYS . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.597 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.959 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.632 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.847 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.7 pt20 -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.711 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.584 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.671 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.552 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 52.3 t80 -36.62 -41.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 5.7 p30 -91.89 -30.79 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.852 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -79.77 11.8 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.571 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.69 -41.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -78.98 -30.46 44.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.142 2 O4'-C4'-C3' 110.393 4.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.8 2 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 2 O4'-C1'-N19 112.573 5.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.586 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.612 3 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.586 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.309 2 O4'-C4'-C3' 109.811 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.709 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.008 1 O4'-C4'-C3' 110.381 4.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.709 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.495 -2.266 2 O4'-C1'-N19 114.349 8.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.58 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 112.288 5.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.58 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.027 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.911 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.235 2 O4'-C4'-C3' 110.093 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.53 5.912 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.432 2 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.564 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.41 3 N19-C1'-C2' 105.724 -5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.423 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.965 2 O4'-C1'-N19 112.629 6.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.266 2 O4'-C4'-C3' 110.065 4.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.497 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.922 1 O4'-C4'-C3' 110.596 4.996 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.497 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.855 ' OP1' HG22 ' A' ' 11' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.101 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.721 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C4'-C3' 110.423 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.675 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 109.887 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.675 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.126 2 O4'-C1'-N19 112.772 6.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.476 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.61 1.718 2 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.582 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.466 1 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.688 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.072 2 O4'-C1'-N19 114.581 8.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.688 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.041 2 O4'-C1'-N19 112.369 5.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.868 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.785 2 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.868 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.883 2 O4'-C1'-N19 113.078 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.4 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.855 3 O4'-C1'-N19 112.39 5.738 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.628 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.928 1 O4'-C4'-C3' 110.144 4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.628 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C4'-C3' 110.616 5.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.5 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 1' ' ' MET . 66.1 t 54.59 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' PRO . 1.3 t -178.95 140.08 0.36 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.4 Cg_exo -52.14 -162.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.765 2.31 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -145.4 -41.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.1 69.82 0.33 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 5' ' ' ARG . 52.1 Cg_endo -69.42 99.65 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.772 2.314 . . . . 0.0 112.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.22 169.89 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 5.1 mmmt 83.88 -65.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 44.62 -154.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.744 ' C ' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER 62.59 128.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.744 HG22 ' C ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 164.46 -93.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.1 ptm180 28.26 64.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 15' ' ' LYS . 1.3 ttpt -96.11 40.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 51.58 169.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 158.23 78.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.9 m-20 158.52 148.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.934 ' CG ' HD22 ' A' ' 92' ' ' LEU . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 3.8 m120 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.788 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.719 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.1 m120 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.791 ' C ' HG23 ' A' ' 47' ' ' THR . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HZ ' ' N3 ' ' C' ' 120' ' ' ' DA' . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 12.5 mm-40 -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.562 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.927 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HD3' ' P ' ' C' ' 123' ' ' ' DA' . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.927 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.854 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' HD13 ' A' ' 25' ' ' LEU . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.558 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.596 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.737 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.75 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.9 t80 -53.19 -38.03 62.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.726 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 2.3 p-10 -94.7 -30.36 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.699 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.737 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.43 2.25 14.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.49 -47.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.934 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -70.98 -31.35 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.842 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.148 2 O4'-C1'-N19 111.618 4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 2 O4'-C1'-N19 112.819 6.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.675 3 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C1'-N19 111.61 4.763 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.405 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.78 1 O4'-C4'-C3' 110.316 4.716 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.565 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.945 2 O4'-C1'-N19 112.73 6.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.615 " C4'" ' OP1' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.619 2.6 2 O4'-C1'-N19 115.015 9.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.615 ' OP1' " C4'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.392 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.788 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.61 1.695 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.587 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.37 2 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.522 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.446 3 N19-C1'-C2' 105.79 -5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.411 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.499 -1.935 2 O4'-C1'-N19 112.557 5.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.52 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C4'-C3' 110.694 5.094 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.522 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.834 2 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.115 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C4'-C3' 110.509 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.427 ' N3 ' ' HZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 1.973 2 O4'-C1'-N19 113.176 6.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.249 5.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.524 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.17 1 O4'-C4'-C3' 110.266 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.524 ' H71' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 2 O4'-C1'-N19 112.059 5.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.419 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.831 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.944 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.218 2 O4'-C4'-C3' 110.016 4.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.944 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 2 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 3 O4'-C1'-N19 112.575 5.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.632 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.236 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.632 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.652 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG21 ' C7 ' ' B' ' 105' ' ' ' DT' . 2.6 t -73.17 84.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.562 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -133.72 45.06 1.42 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 3' ' ' THR . 54.1 Cg_endo -69.74 -37.87 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.757 2.304 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.84 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -10.6 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.783 2.322 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.01 149.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.82 -179.02 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 53.5 -153.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 4.8 m 85.07 -59.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.749 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.7 OUTLIER 48.4 96.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 4.4 ptt-85 -32.87 119.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -111.11 -33.11 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 84.89 161.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 176.96 63.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 3.0 m-20 -162.42 156.03 17.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CG ' HD22 ' A' ' 92' ' ' LEU . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 5.8 m120 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' OD2' ' A' ' 77' ' ' ASP . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.589 ' H ' ' HG2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.819 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 2.5 m120 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.604 ' OD2' HD13 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.689 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.689 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.587 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.645 ' HB ' ' CB ' ' A' ' 50' ' ' GLN . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' A' ' 39' ' ' VAL . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.594 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 35' ' ' ASN . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.89 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.602 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.819 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.552 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 16.6 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.646 ' OD2' ' HB1' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.733 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.9 t80 -36.57 -41.75 0.32 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.2 p30 -92.55 -30.74 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 177.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.41 5.07 6.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.253 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.548 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.97 -46.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.679 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.95 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.31 -34.15 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.861 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.075 2 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 2 O4'-C1'-N19 112.41 5.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 2 O4'-C1'-N19 112.531 5.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.709 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.637 3 O4'-C4'-C3' 110.385 4.785 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.709 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.625 2 O4'-C1'-N19 111.807 5.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.471 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.614 2.116 1 O4'-C4'-C3' 110.345 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.487 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 2 O4'-C1'-N19 113.536 7.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.574 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 113.138 6.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.71 2 O4'-C1'-N19 114.314 8.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.859 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.114 4.514 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.834 2 O4'-C1'-N19 112.398 5.748 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.599 ' P ' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.523 1.443 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.311 3 N19-C1'-C2' 105.969 -5.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.498 -2.045 2 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 2 O4'-C1'-N19 112.012 5.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.961 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.56 3 O4'-C4'-C3' 110.359 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.961 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.783 2 O4'-C4'-C3' 109.816 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.749 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.729 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 1 O4'-C4'-C3' 110.384 4.784 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.703 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 109.826 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.703 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.044 2 O4'-C1'-N19 112.816 6.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.688 2 O4'-C1'-N19 113.086 6.607 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.56 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.582 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.707 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 113.781 7.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.707 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.595 2 O4'-C1'-N19 112.269 5.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C4'-C3' 109.86 4.26 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.174 2 O4'-C1'-N19 113.166 6.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.737 3 O4'-C1'-N19 112.561 5.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.637 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.141 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.637 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.942 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 3' ' ' THR . 7.4 p -79.18 -50.18 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.575 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.6 m -105.36 134.74 19.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.99 97.92 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mtm180 -130.85 -154.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.01 58.57 1.27 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HB2' ' H62' ' C' ' 123' ' ' ' DA' . 55.0 Cg_endo -69.74 80.28 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.748 2.298 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -173.17 -170.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 8' ' ' LYS . 14.2 mmtt 63.29 -154.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' C ' HG22 ' A' ' 11' ' ' THR . 2.6 ttm180 -78.52 -168.85 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.715 HG22 ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 156.46 -21.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ARG . 2.9 p 48.73 64.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.86 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.06 -160.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.1 tptt -131.22 166.93 20.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 164.07 97.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.5 m-20 159.19 143.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.904 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.619 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.757 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.005 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.0 m120 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.632 ' HB2' HD11 ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.92 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 47' ' ' THR . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.889 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 3.6 pt20 -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.757 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.642 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 92' ' ' LEU . 50.9 t80 -37.0 -42.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 38.8 m-80 -92.11 -30.26 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 177.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.7 10.71 3.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.573 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.42 -42.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.594 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.14 -31.87 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.79 178.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.053 2 O4'-C4'-C3' 110.354 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 2 O4'-C1'-N19 112.822 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.626 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.695 3 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.626 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.375 2 O4'-C1'-N19 111.304 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.499 -1.912 1 O4'-C4'-C3' 110.311 4.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.49 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C1'-N19 113.438 7.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.492 ' OP2' ' HB2' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.055 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.585 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.814 2 O4'-C1'-N19 115.141 9.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.927 ' C4 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.384 2 O4'-C4'-C3' 110.013 4.413 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.569 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.963 2 O4'-C1'-N19 112.041 5.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.615 ' C4 ' ' N4 ' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.523 1.53 2 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.615 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.482 3 N19-C1'-C2' 105.834 -5.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.065 2 O4'-C1'-N19 112.562 5.952 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.283 2 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.501 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.885 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.501 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.714 2 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C4'-C3' 110.111 4.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 1 O4'-C4'-C3' 110.426 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.457 ' N3 ' ' CZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C4'-C3' 109.739 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.184 2 O4'-C1'-N19 112.995 6.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.717 2 O4'-C1'-N19 112.819 6.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.576 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.523 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.751 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.304 2 O4'-C1'-N19 114.538 8.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.751 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.433 2 O4'-C1'-N19 112.938 6.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.847 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.024 2 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.847 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.594 2 O4'-C1'-N19 113.079 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.712 3 O4'-C1'-N19 112.457 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.619 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.136 4.536 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.619 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 2 O4'-C4'-C3' 110.679 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.2 t 61.63 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 p -140.94 148.17 51.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 96.51 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.52 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -179.44 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.8 Cg_exo -51.98 -162.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -97.98 160.62 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.89 16.36 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' O ' HG23 ' A' ' 11' ' ' THR . 2.9 tpp180 84.81 -64.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.873 HG21 ' OP1' ' C' ' 118' ' ' ' DG' . 0.2 OUTLIER 161.51 -168.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -30.85 109.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.009 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD2' ' C7 ' ' B' ' 108' ' ' ' DT' . 3.4 mmp_? -37.1 160.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.027 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 16.1 mmmt -89.12 -153.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -91.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CE ' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER 57.57 91.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 159.68 146.83 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.711 ' CG ' HD22 ' A' ' 92' ' ' LEU . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.658 ' ND2' HG21 ' A' ' 91' ' ' THR . 7.4 m120 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.662 ' HD3' ' CD1' ' A' ' 88' ' ' TYR . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.945 HD11 ' OP1' ' B' ' 110' ' ' ' DG' . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.851 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.3 m120 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.632 ' NE ' HD13 ' A' ' 55' ' ' LEU . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG1' HG23 ' A' ' 51' ' ' VAL . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' CZ ' ' OP2' ' B' ' 113' ' ' ' DC' . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.639 ' CB ' HD13 ' A' ' 46' ' ' ILE . 5.1 m120 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 43' ' ' ASN . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.1 mm100 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.616 HG23 ' CG1' ' A' ' 39' ' ' VAL . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 ' NE ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.795 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.634 ' HD2' ' P ' ' C' ' 123' ' ' ' DA' . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.924 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.924 ' HD2' HG23 ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.665 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.66 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.742 ' O ' HD23 ' A' ' 92' ' ' LEU . 40.8 t80 -38.84 -40.4 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -93.57 -29.0 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.69 177.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.11 5.93 7.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.658 HG21 ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -135.88 -43.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -73.22 -32.22 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.807 178.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.067 2 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 2 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.841 2 O4'-C1'-N19 113.041 6.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 2 O4'-C1'-N19 111.751 4.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.417 H2'' ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C4'-C3' 109.965 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.147 1 O4'-C4'-C3' 110.339 4.739 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.181 2 O4'-C1'-N19 114.574 8.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.542 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.619 2.648 2 O4'-C1'-N19 113.398 6.997 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.654 ' C2 ' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 115.016 9.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.945 ' OP1' HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.617 2.391 1 O4'-C4'-C3' 110.173 4.573 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.844 2 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.534 2 O4'-C1'-N19 111.479 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.535 ' OP2' ' CZ ' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.463 3 N19-C1'-C2' 105.735 -5.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.073 2 O4'-C1'-N19 112.512 5.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 2 O4'-C4'-C3' 110.092 4.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.506 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.683 5.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.506 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.803 2 O4'-C4'-C3' 110.049 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.873 ' OP1' HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 110.044 4.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.744 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C4'-C3' 110.411 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.414 " O5'" H2'' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C4'-C3' 110.054 4.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.483 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.841 2 O4'-C1'-N19 112.558 5.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.509 " O3'" ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 113.775 7.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.634 ' P ' ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.494 -2.384 2 O4'-C4'-C3' 110.064 4.464 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.659 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.073 2 O4'-C1'-N19 115.212 9.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.659 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 2 O4'-C1'-N19 112.114 5.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C4'-C3' 109.898 4.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.742 2 O4'-C1'-N19 112.609 6.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.415 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.863 3 O4'-C1'-N19 114.187 7.984 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.615 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.978 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.615 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.051 2 O4'-C4'-C3' 110.625 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.736 0.303 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' ' OG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -47.77 -41.89 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.609 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -171.83 140.6 1.16 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.609 ' HD2' HG22 ' A' ' 3' ' ' THR . 54.0 Cg_exo -52.05 118.51 4.61 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.788 2.325 . . . . 0.0 112.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 28.4 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -139.82 45.65 0.9 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.64 153.09 69.93 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.777 2.318 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.98 168.97 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER 62.01 24.97 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.14 -39.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 3.0 m 79.39 24.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.84 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.673 ' H ' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -32.83 115.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.011 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' N ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -121.12 -80.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.8 ttmt -161.71 144.06 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 170.83 90.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER 159.48 134.08 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.996 ' HG3' HD11 ' A' ' 92' ' ' LEU . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m120 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.657 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.759 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.009 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.825 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.843 ' O ' HD13 ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.834 ' C ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' C ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.664 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.558 ' HB3' HG12 ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' CA ' ' A' ' 51' ' ' VAL . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.851 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.725 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.685 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.01 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 6.4 pt20 -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.825 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.576 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.737 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.897 ' N ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -37.1 -51.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 7.0 m-80 -72.9 -36.59 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.52 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -55.38 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -40.78 58.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.684 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.996 HD11 ' HG3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -38.0 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.826 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.131 2 O4'-C1'-N19 113.899 7.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 2 O4'-C1'-N19 112.484 5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.81 2 O4'-C1'-N19 112.292 5.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 2 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.518 " C2'" ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.518 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.5 -1.811 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.495 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.59 2 O4'-C1'-N19 113.269 6.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.61 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C1'-N19 113.549 7.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.563 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.523 1.509 2 O4'-C1'-N19 113.678 7.348 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.972 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.125 1 O4'-C4'-C3' 109.924 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.589 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 112.244 5.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.61 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.384 2 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.618 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.493 -2.466 3 N19-C1'-C2' 105.646 -5.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.412 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.002 2 O4'-C1'-N19 112.687 6.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.17 2 O4'-C1'-N19 111.728 4.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.525 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.989 1 O4'-C4'-C3' 110.642 5.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.525 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.061 2 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.054 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.255 1 O4'-C4'-C3' 110.357 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.897 " H4'" ' OP1' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.653 2 O4'-C1'-N19 111.767 4.959 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.897 ' OP1' " H4'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.706 2 O4'-C1'-N19 113.915 7.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.411 " O5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.746 2 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.559 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.456 2 O4'-C4'-C3' 110.201 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.663 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.044 3 O4'-C1'-N19 114.552 8.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.663 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 2 O4'-C1'-N19 112.506 5.883 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.721 ' C4 ' ' C5 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C4'-C3' 110.0 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.721 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.333 2 O4'-C1'-N19 113.32 6.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.406 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.722 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.57 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.209 4.609 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.57 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 2 O4'-C4'-C3' 110.633 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -52.71 -176.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -48.59 107.29 0.73 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.9 Cg_exo -51.97 -161.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 21.44 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 -78.51 -57.06 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.004 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.6 Cg_exo -52.12 137.87 53.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.01 104.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HD3' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -83.38 -68.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 11' ' ' THR . 4.3 ttp180 70.71 34.39 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.479 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 18.1 m -33.1 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 16.9 p 36.33 55.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 6.3 ptt85 -32.74 152.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -118.37 -19.85 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 85.87 174.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.895 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.2 pttp 166.07 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER 88.18 151.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.063 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.691 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.895 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.674 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.846 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.989 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' NE ' ' A' ' 36' ' ' ARG . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.684 ' NE ' ' HB1' ' A' ' 32' ' ' ALA . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.971 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.734 ' N ' HG22 ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.645 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 52' ' ' GLY . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' HA ' ' A' ' 54' ' ' LYS . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.917 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.917 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.823 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.584 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.565 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.674 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.594 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.775 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.8 t80 -48.22 -40.16 23.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.431 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 4.1 m-80 -93.38 -31.88 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.707 177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.71 5.9 6.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.21 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.555 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -135.66 -42.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -70.94 -33.95 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.706 178.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.106 2 O4'-C1'-N19 111.636 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 113.19 6.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.662 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 3 O4'-C1'-N19 111.704 4.881 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.662 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 2 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.476 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.174 1 O4'-C4'-C3' 110.314 4.714 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.504 ' C5 ' ' C7 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 2 O4'-C1'-N19 113.181 6.727 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.52 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.95 2 O4'-C1'-N19 113.649 7.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.558 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.61 1.721 2 O4'-C1'-N19 114.226 8.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.975 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.148 2 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.685 2 O4'-C1'-N19 112.285 5.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.591 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.967 2 O4'-C4'-C3' 110.134 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.515 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.249 3 N19-C1'-C2' 106.035 -5.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.128 2 O4'-C1'-N19 112.118 5.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.035 2 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.997 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.519 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.997 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.719 2 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C4'-C3' 110.106 4.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.283 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.486 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.047 2 O4'-C1'-N19 112.713 6.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.471 " O3'" ' HE2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.626 2 O4'-C1'-N19 112.594 5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.58 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.431 1 O4'-C4'-C3' 110.171 4.571 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.711 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.021 2 O4'-C1'-N19 114.378 8.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.711 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 2 O4'-C1'-N19 111.848 5.06 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C4'-C3' 110.04 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.954 2 O4'-C1'-N19 112.151 5.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.428 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.696 3 O4'-C1'-N19 114.339 8.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.617 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.918 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.617 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.097 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG11 ' C5 ' ' C' ' 125' ' ' ' DC' . 35.8 m -143.81 157.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.588 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -153.13 -68.62 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 3' ' ' THR . 54.3 Cg_endo -69.65 166.29 27.97 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.782 2.321 . . . . 0.0 112.303 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -160.72 60.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -45.0 -48.15 30.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_exo -52.01 113.8 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.772 2.315 . . . . 0.0 112.261 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -49.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 176.76 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -134.88 -172.8 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.69 ' C ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER 66.54 139.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.69 HG22 ' C ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 156.4 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 1.0 OUTLIER -32.56 108.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -153.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -123.74 146.93 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.82 95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.577 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 m-20 159.02 143.02 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 3.1 m120 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.739 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.579 ' H ' ' HG2' ' A' ' 29' ' ' MET . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.946 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.7 m120 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.952 ' O ' HD13 ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.1 m120 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' NE ' ' OP1' ' B' ' 112' ' ' ' DT' . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.038 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.877 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.797 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' CD ' " O5'" ' C' ' 125' ' ' ' DC' . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.801 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.944 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.944 ' N ' HD23 ' A' ' 87' ' ' LEU . 6.3 t80 -34.24 -54.26 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 2.0 m-80 -73.78 -37.52 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.727 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -50.25 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.723 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.8 -38.72 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 177.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 88' ' ' TYR . 1.1 tm? -36.55 -65.22 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.121 2 O4'-C1'-N19 113.785 7.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 2 O4'-C1'-N19 112.492 5.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.462 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.516 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.662 3 O4'-C1'-N19 111.657 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.516 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 1 O4'-C4'-C3' 110.28 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.479 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.685 2 O4'-C1'-N19 113.241 6.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.555 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.2 2 O4'-C1'-N19 113.086 6.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.529 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.734 2 O4'-C1'-N19 114.252 8.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.866 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.601 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.123 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.601 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.588 2 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.651 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.495 -2.32 3 N19-C1'-C2' 105.651 -5.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.056 2 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.215 2 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.497 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.962 1 O4'-C4'-C3' 110.614 5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.497 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.744 2 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C4'-C3' 110.146 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 110.497 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.725 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C4'-C3' 109.855 4.255 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.725 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.082 2 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . 0.501 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.524 1.575 2 O4'-C1'-N19 112.911 6.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.63 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.49 -2.753 2 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.656 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 2 O4'-C1'-N19 113.608 7.261 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.656 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 2 O4'-C1'-N19 111.921 5.151 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.933 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.013 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.933 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 2 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.548 5.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.583 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.583 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 1' ' ' MET . 2.4 p 166.88 110.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.493 ' HB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -79.78 -52.0 1.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.493 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 53.7 Cg_exo -51.92 159.54 3.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.309 . . . . 0.0 112.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 178.5 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -136.05 56.85 15.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_exo -51.74 155.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -142.48 76.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -122.57 -55.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 170.47 166.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 12' ' ' THR . 5.3 m -33.17 94.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.741 HG23 ' N ' ' A' ' 13' ' ' ARG . 2.0 t -54.55 -155.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER 30.9 95.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.305 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -127.04 -166.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -60.22 144.6 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 3.9 tttm 169.19 145.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 7.8 m-20 68.75 137.57 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.919 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 2.3 m120 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD21 H5'' ' B' ' 110' ' ' ' DG' . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.656 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.823 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 1.4 m120 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.596 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.564 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 17.5 mm-40 -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.981 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' HG23 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.59 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.521 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.675 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.624 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.754 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.7 t80 -54.98 -38.68 68.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.2 p-10 -95.44 -29.42 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.657 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.75 2.19 17.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.985 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.2 t -131.28 -45.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.919 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -74.13 -30.9 62.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.301 2 O4'-C1'-N19 113.954 7.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 2 O4'-C1'-N19 112.649 6.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.527 " H4'" ' OP1' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.921 2 O4'-C1'-N19 114.779 8.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.566 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.566 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.092 2 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.703 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.124 1 O4'-C4'-C3' 110.387 4.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.703 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.497 -2.12 2 O4'-C1'-N19 114.183 7.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.566 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.51 2 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.052 2 O4'-C1'-N19 113.875 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.868 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.178 4.578 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.122 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.592 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.812 2 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.565 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.443 3 N19-C1'-C2' 105.652 -5.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.422 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.153 2 O4'-C1'-N19 112.607 6.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 2 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.505 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.904 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.505 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C4'-C3' 110.022 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.123 1 O4'-C4'-C3' 110.109 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DA' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C4'-C3' 110.456 4.856 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.29 1 O4'-C4'-C3' 109.912 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.599 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.811 2 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.554 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.57 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.391 1 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.701 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.079 2 O4'-C1'-N19 114.523 8.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . 0.701 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.833 2 O4'-C1'-N19 112.443 5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.868 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 2 O4'-C1'-N19 111.984 5.23 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.868 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 2 O4'-C1'-N19 113.045 6.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 128' ' ' ' DC' . . . . . 0.417 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.635 3 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.56 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ' DC' . . . . . 0.56 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.107 2 O4'-C4'-C3' 110.705 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.442 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 5.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.68 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.585 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.896 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.855 HD12 ' HB2' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' ' NE2' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.855 ' HB2' HD12 ' A' ' 46' ' ' ILE . 5.4 mm-40 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.926 HG22 HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.985 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.866 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.92 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.92 ' HD2' HG23 ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.599 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.714 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.571 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CD1' ' OD1' ' A' ' 19' ' ' ASN . 37.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' ALA . 21.9 m-80 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.978 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.57 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.72 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.978 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.748 ' O ' HD13 ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.959 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 38' ' ' ILE . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.617 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 mm-40 -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.659 HG22 HD12 ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.567 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.987 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.7 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.76 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 30.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.0 m-20 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.882 0.372 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.528 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ALA . 1.4 m-80 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.713 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.722 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.766 ' HB2' HD23 ' A' ' 25' ' ' LEU . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.81 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.5 m-20 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.79 ' O ' HD13 ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.72 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 38' ' ' ILE . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.79 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.623 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.1 m-80 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.1 mm-40 -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG23 HG12 ' A' ' 39' ' ' VAL . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.98 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.98 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.706 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.752 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 23.6 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' SER . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 42.4 t80 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.74 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.983 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.72 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.983 ' HB2' HD23 ' A' ' 25' ' ' LEU . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.3 m-20 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.534 ' N ' HG22 ' A' ' 38' ' ' ILE . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.593 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.805 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.87 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' H ' HG22 ' A' ' 47' ' ' THR . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.938 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.595 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.784 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.2 mt-30 -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 23.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.758 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.614 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.736 ' HB2' HD23 ' A' ' 25' ' ' LEU . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.833 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 6.0 m-20 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.86 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.565 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.038 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.833 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD2' HD13 ' A' ' 25' ' ' LEU . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.699 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.759 ' HA ' HD21 ' A' ' 87' ' ' LEU . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.707 ' N ' HD12 ' A' ' 87' ' ' LEU . 52.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' OH ' ' A' ' 88' ' ' TYR . 2.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.397 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.812 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.728 ' CE1' HD11 ' A' ' 62' ' ' LEU . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.9 m-20 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 38' ' ' ILE . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.584 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.839 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.796 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 59' ' ' TRP . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.713 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.57 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 37.3 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.748 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.764 ' HB2' HD23 ' A' ' 25' ' ' LEU . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 29' ' ' MET . 7.8 m-20 -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.593 ' O ' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.8 m-80 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 47' ' ' THR . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.789 ' O ' HD12 ' A' ' 62' ' ' LEU . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.718 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.624 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 25' ' ' LEU . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.552 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.572 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 83' ' ' SER . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.629 ' N ' HD23 ' A' ' 87' ' ' LEU . 27.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 20' ' ' ALA . 3.4 m-80 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.994 ' NH2' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.994 ' HB3' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.722 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.806 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.587 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.602 ' OD1' HD13 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.669 ' N ' HG22 ' A' ' 38' ' ' ILE . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.655 ' CB ' HD12 ' A' ' 46' ' ' ILE . 1.3 m-80 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.938 ' O ' HG12 ' A' ' 51' ' ' VAL . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.542 ' CA ' ' NE2' ' A' ' 50' ' ' GLN . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.67 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 47' ' ' THR . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD21 ' OD1' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' HD2' ' A' ' 64' ' ' PRO . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.922 ' HD2' HG23 ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.824 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.634 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.806 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 19.0 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.659 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 18' ' ' PRO . 35.3 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 1.9 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 1.8 m-80 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.648 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.686 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.744 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.95 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.8 m-20 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.693 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' ILE . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.714 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.011 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.011 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.973 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.695 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.695 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.686 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.768 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 1.3 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 29' ' ' MET . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.837 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.836 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 8.2 m-20 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' CG1' HG23 ' A' ' 51' ' ' VAL . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 mm-40 -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG23 ' CG1' ' A' ' 39' ' ' VAL . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.604 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.966 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.966 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.618 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.544 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.586 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.557 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 87' ' ' LEU . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.0 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 m-80 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.696 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.867 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.953 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 8.5 m-20 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.847 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 ' N ' HG22 ' A' ' 38' ' ' ILE . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.576 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.725 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.876 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HG3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 47' ' ' THR . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.639 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.586 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.696 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.594 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.62 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 35.1 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.897 0.38 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 88' ' ' TYR . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' HD21 ' A' ' 87' ' ' LEU . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.711 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.573 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.964 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.1 m-20 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' O ' HD13 ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 38' ' ' ILE . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.7 ' HB2' HD11 ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' HB ' ' A' ' 51' ' ' VAL . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.507 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.498 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.715 ' HB ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.64 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.663 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 58' ' ' LYS . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.597 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.959 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.632 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.847 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.581 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.711 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.671 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.552 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD21 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 52.3 t80 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.865 0.364 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.4 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 6.5 m-80 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.719 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 5.1 m-20 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.791 ' C ' HG23 ' A' ' 47' ' ' THR . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.562 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.927 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.927 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.854 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' HD13 ' A' ' 25' ' ' LEU . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.558 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.596 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.541 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.652 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.9 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 3.0 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 13.6 m-80 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' OD2' ' A' ' 77' ' ' ASP . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.589 ' H ' ' HG2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.819 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 10.1 m-20 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.604 ' OD2' HD13 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.689 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.689 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.587 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.645 ' HB ' ' CB ' ' A' ' 50' ' ' GLN . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 3.1 mm-40 -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' A' ' 39' ' ' VAL . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.594 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 35' ' ' ASN . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.89 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.602 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.819 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.552 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 25.8 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.646 ' OD2' ' HB1' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 22.9 t80 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' CG ' ' OH ' ' A' ' 88' ' ' TYR . 3.5 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 88' ' ' TYR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.619 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.757 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.005 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.6 m-80 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.632 ' HB2' HD11 ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.92 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 47' ' ' THR . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.889 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.592 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.757 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 50.9 t80 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.943 0.402 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' HG2' ' CE1' ' A' ' 88' ' ' TYR . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.662 ' HD3' ' CD1' ' A' ' 88' ' ' TYR . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD23 ' HB2' ' A' ' 29' ' ' MET . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.851 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.5 m-80 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.632 ' NE ' HD13 ' A' ' 55' ' ' LEU . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG1' HG23 ' A' ' 51' ' ' VAL . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.639 ' CB ' HD13 ' A' ' 46' ' ' ILE . 7.9 m-80 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 43' ' ' ASN . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.5 mm-40 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.616 HG23 ' CG1' ' A' ' 39' ' ' VAL . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 ' NE ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.795 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.924 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.924 ' HD2' HG23 ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.665 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.66 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.662 ' CD1' ' HD3' ' A' ' 21' ' ' PRO . 40.8 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.952 0.406 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 m-80 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.657 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.738 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.009 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.825 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.843 ' O ' HD13 ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.834 ' C ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' C ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.664 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.558 ' HB3' HG12 ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' CA ' ' A' ' 51' ' ' VAL . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.851 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.685 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.01 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.825 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.576 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.737 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.897 ' N ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.674 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.989 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.788 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.989 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' NE ' ' A' ' 36' ' ' ARG . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 29' ' ' MET . 4.4 m-20 -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.684 ' NE ' ' HB1' ' A' ' 32' ' ' ALA . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.971 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.734 ' N ' HG22 ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.645 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.8 mm-40 -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 52' ' ' GLY . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' HA ' ' A' ' 54' ' ' LYS . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.917 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.917 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.823 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.578 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.565 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.674 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.594 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.652 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.8 t80 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.577 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.943 0.402 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.603 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m-80 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.739 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.579 ' H ' ' HG2' ' A' ' 29' ' ' MET . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.946 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 29' ' ' MET . 11.9 m-20 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.952 ' O ' HD13 ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.3 m-80 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.038 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.877 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.797 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.801 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.944 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.944 ' N ' HD23 ' A' ' 87' ' ' LEU . 6.3 t80 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 7.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HD2' ' OH ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB2' ' HD1' ' A' ' 88' ' ' TYR . 3.8 m-80 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 29' ' ' MET . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.668 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.823 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.0 m-20 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.596 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.564 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.981 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' HG23 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.59 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 17.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.521 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.675 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.531 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.613 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 36.7 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 2' ' ' VAL . 2.1 m -72.38 -18.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -119.4 89.1 39.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.94 132.27 41.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.76 2.307 . . . . 0.0 112.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -94.31 24.23 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 7' ' ' PRO . 23.1 tt0 -101.34 144.15 28.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 6' ' ' GLU . 53.5 Cg_exo -52.2 141.25 49.52 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.749 2.299 . . . . 0.0 112.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 49.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.72 92.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' HG23 ' A' ' 11' ' ' THR . 1.2 ptm180 -131.13 136.1 48.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.852 HG21 " H2'" ' C' ' 118' ' ' ' DG' . 0.2 OUTLIER 161.12 120.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.34 48.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' NH2' ' OP2' ' B' ' 107' ' ' ' DA' . 22.5 mmm-85 -36.14 151.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.5 OUTLIER -61.13 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.4 tttp -94.01 174.47 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 17.0 ttpp 168.12 82.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 5.3 m-20 157.35 150.28 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.975 ' CG ' HD22 ' A' ' 92' ' ' LEU . 17.9 Cg_endo -57.82 -57.05 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.82 2.347 . . . . 0.0 111.943 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.35 -28.88 11.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 176.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 50.52 78.99 0.37 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.402 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.9 Cg_endo -55.62 -52.11 8.32 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 111.828 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER 88.6 54.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.22 177.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.68 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -151.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -128.52 169.65 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.936 HD21 H5'' ' B' ' 110' ' ' ' DG' . 1.3 mp -58.13 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.458 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.83 161.74 32.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.585 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.21 -17.81 31.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 24.1 t80 -81.76 -26.61 34.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.034 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.896 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.1 mmt -78.85 -45.22 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.77 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.11 -47.02 72.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.4 t80 -64.26 -51.24 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.449 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.15 -27.97 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -61.69 -48.73 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.34 176.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.4 mm-40 -66.63 -42.16 87.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.036 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -66.9 -73.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.5 ttp180 -10.07 -63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 10.9 p-10 -67.84 -51.24 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.2 mp -57.78 -69.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.894 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 51' ' ' VAL . 12.6 t -39.21 -64.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' NH2' ' OP2' ' B' ' 113' ' ' ' DC' . 4.8 ttt180 -63.3 -24.54 67.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.04 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 6.6 t -70.58 -23.31 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 21.6 mt-10 -100.63 -17.09 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.743 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.596 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 m-80 -135.19 56.66 17.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 32.5 Cg_exo -59.09 -12.1 14.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.822 2.348 . . . . 0.0 112.184 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -34.75 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.855 HD12 ' HB2' ' A' ' 50' ' ' GLN . 5.1 pt -76.03 139.64 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.47 HG22 " H4'" ' B' ' 113' ' ' ' DC' . 0.0 OUTLIER -90.06 -167.52 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.645 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.4 t80 -56.52 -33.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.287 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' ' NE2' ' A' ' 50' ' ' GLN . . . -73.18 6.32 15.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.818 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.855 ' HB2' HD12 ' A' ' 46' ' ' ILE . 5.4 mm-40 -127.02 -53.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.166 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.926 HG22 HG12 ' A' ' 39' ' ' VAL . 2.8 t -61.89 -42.98 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.01 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -67.07 -67.94 1.82 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.609 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 29.8 mtpt -52.81 -46.7 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 14.3 mmtt -62.28 -28.34 69.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.985 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -62.78 -49.5 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.775 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.28 -51.02 59.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 12.9 pt-20 -55.49 -52.47 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -66.0 -25.76 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 178.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.866 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.9 t-105 -57.42 -60.68 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HE3' " O3'" ' C' ' 122' ' ' ' DA' . 2.4 mttp -73.09 -17.95 61.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.753 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.08 -37.02 86.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -52.8 -71.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.917 -179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.92 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.4 m 136.07 147.16 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.92 ' HD2' HG23 ' A' ' 63' ' ' THR . 73.3 Cg_exo -38.05 -48.2 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.731 2.287 . . . . 0.0 112.513 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -56.19 -49.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.818 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.9 mm-40 -57.96 -26.18 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.599 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 10.7 mtmt -79.73 -27.68 40.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.714 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.1 mt-30 -32.16 -50.8 0.54 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.17 -56.8 2.43 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.475 2.116 . . . . 0.0 112.402 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.02 -61.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 -177.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.0 tt0 -39.58 -49.96 2.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.434 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -43.1 99.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.941 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.74 -15.74 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.389 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.46 -46.92 21.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HD2' ' A' ' 79' ' ' LYS . 21.1 mt-30 -62.24 -31.57 72.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.019 174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.0 75.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.854 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 14.1 t0 -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.672 178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.53 -45.97 91.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.501 177.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 13.7 mttt -68.62 -43.32 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.412 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.35 -59.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.418 177.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.28 -34.97 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 177.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.57 -24.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.571 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.4 m -74.51 -47.7 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.598 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.4 pt-20 -68.17 -14.78 63.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.9 pttp -88.37 -47.0 8.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.519 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 83' ' ' SER . 5.1 pt-20 -54.68 -34.71 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.292 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.69 -40.81 20.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 175.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.786 ' O ' HD23 ' A' ' 92' ' ' LEU . 37.7 t80 -36.39 -41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.399 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -92.35 -31.03 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.21 11.45 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.259 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.521 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -141.75 -41.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.975 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -74.81 -32.75 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.78 178.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.217 2 O4'-C1'-N19 111.633 4.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 111.986 5.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.768 2 O4'-C1'-N19 112.644 6.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.581 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.61 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.581 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 2 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.454 ' OP2' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.171 1 O4'-C4'-C3' 110.231 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.534 ' OP2' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.658 2 O4'-C1'-N19 113.45 7.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.529 ' C7 ' ' C5 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.132 2 O4'-C1'-N19 114.116 7.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.52 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 1.952 2 O4'-C1'-N19 114.081 7.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.936 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.231 2 O4'-C4'-C3' 110.142 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.163 5.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.436 2 O4'-C4'-C3' 110.117 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.518 ' OP2' ' NH2' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.494 -2.401 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.052 2 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.518 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.883 1 O4'-C4'-C3' 110.664 5.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.852 " H2'" HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.063 1 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.607 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.145 1 O4'-C4'-C3' 109.799 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.041 2 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.592 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.706 2 O4'-C1'-N19 112.778 6.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.586 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.7 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 2 O4'-C1'-N19 114.132 7.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.7 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 2 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.064 1 O4'-C4'-C3' 109.88 4.28 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.723 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.156 2 O4'-C1'-N19 113.3 6.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.612 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.96 1 O4'-C4'-C3' 110.147 4.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.612 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 2 O4'-C4'-C3' 110.631 5.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.745 0.307 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.51 11.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 m -107.19 80.82 0.89 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -52.05 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 46.52 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -86.15 -44.81 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 56.6 Cg_exo -51.58 -175.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -160.0 -39.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' THR . 6.8 mtt180 -35.21 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.8 m -33.28 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 53.0 81.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.29 115.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.56 168.07 16.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 143.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -175.99 126.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 85.63 149.39 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.896 ' CG ' HD22 ' A' ' 92' ' ' LEU . 19.9 Cg_endo -59.27 -55.34 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.834 2.356 . . . . 0.0 112.173 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.541 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 21.9 m-80 -110.35 -21.76 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.635 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 45.26 103.54 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 24.6 Cg_exo -63.35 -48.21 6.44 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.801 2.334 . . . . 0.0 112.17 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.608 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 95.37 79.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.757 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.681 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -25.01 151.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.352 -179.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -58.07 170.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.528 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 0.4 OUTLIER -69.97 -167.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.485 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.57 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -126.44 160.8 29.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.94 -22.49 64.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.764 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.5 t80 -78.77 -23.22 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.956 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.978 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.0 mmt -81.5 -45.8 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.8 m-85 -64.86 -46.25 82.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.5 t80 -66.42 -53.16 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.18 -21.24 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.9 m-20 -70.05 -48.79 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.434 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.748 ' O ' HD13 ' A' ' 38' ' ' ILE . 6.6 mt-10 -64.05 -44.41 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.905 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.959 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.67 -70.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.743 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.629 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.3 ttp180 -9.74 -63.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.132 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 29.4 m-20 -69.64 -52.53 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.873 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.61 -71.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 38' ' ' ILE . 35.6 t -44.28 -59.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.285 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.91 -25.62 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -178.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.4 m -72.91 -24.91 60.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 mt-10 -91.99 -23.41 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.617 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -135.25 59.5 33.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.5 Cg_exo -61.78 -29.33 82.93 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.996 2.464 . . . . 0.0 112.244 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.37 33.76 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.354 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -95.96 -47.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.044 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.6 m 100.11 147.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -36.54 -85.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.281 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -28.23 -33.48 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.076 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 mm-40 -75.21 -56.04 5.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.543 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.659 HG22 HD12 ' A' ' 55' ' ' LEU . 8.8 p -65.52 -48.57 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.567 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -63.29 -65.63 2.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.856 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 8.9 mtpt -56.68 -45.62 81.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -68.46 -19.63 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 178.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -66.61 -55.03 17.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.546 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.65 -37.71 94.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.241 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.59 -55.34 36.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.2 -21.5 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.81 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.987 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -57.2 -57.16 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -81.38 -15.25 55.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.63 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -65.63 -36.23 83.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.31 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.919 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.96 148.7 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 -178.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 63' ' ' THR . 94.9 Cg_exo -41.59 -46.54 6.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.534 2.156 . . . . 0.0 112.148 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.77 -47.38 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 178.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.3 mm-40 -58.92 -25.6 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 10.9 mtmt -80.87 -26.41 36.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.856 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.7 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.3 -50.65 0.44 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.1 Cg_exo -53.94 -56.44 2.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.474 2.116 . . . . 0.0 112.455 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.54 -60.47 2.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -177.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.76 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 21.2 tt0 -40.93 -49.67 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.042 0.449 . . . . 0.0 110.396 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.03 -41.69 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.984 173.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.66 -17.09 45.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.473 173.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.19 -48.4 23.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.261 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 2.2 mt-30 -60.53 -35.81 76.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.113 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' LYS . . . -61.48 -43.15 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.691 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 15.3 t0 -75.57 -20.85 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 7.8 mtpt -62.71 -49.12 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.529 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 pptp? -71.72 -39.99 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.96 -60.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 177.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.01 -37.83 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.705 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.636 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -38.98 -34.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.443 178.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 56.0 m -68.15 -54.01 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.331 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 1.4 tp10 -46.84 -26.06 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.0 -44.74 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 177.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.0 pt-20 -50.48 -33.84 22.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.534 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.77 -42.67 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.313 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.717 ' O ' HD23 ' A' ' 92' ' ' LEU . 30.3 t80 -37.11 -39.91 0.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.46 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 3.4 m-20 -93.98 -29.97 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.766 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.31 4.03 7.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.89 -46.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.896 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -71.31 -31.25 67.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' HD12 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.204 2 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 2 O4'-C1'-N19 112.036 5.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 2 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.597 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.704 3 O4'-C4'-C3' 110.358 4.758 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.597 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.533 2 O4'-C1'-N19 112.01 5.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.485 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.499 -1.926 1 O4'-C4'-C3' 110.23 4.63 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.472 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.866 3 O4'-C1'-N19 113.357 6.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.521 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.223 2 O4'-C1'-N19 113.213 6.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.533 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 114.609 8.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.982 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.579 2 O4'-C4'-C3' 110.046 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.506 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.538 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.329 3 N19-C1'-C2' 105.736 -5.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.416 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.003 2 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.321 2 O4'-C4'-C3' 110.164 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.5 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.5 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.603 2 O4'-C4'-C3' 109.951 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.734 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 110.376 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.651 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 1 O4'-C4'-C3' 109.75 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.651 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.989 2 O4'-C1'-N19 112.556 5.945 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.45 ' H2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.609 1.552 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.176 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.487 ' OP1' ' HD2' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.988 2 O4'-C1'-N19 112.575 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C4'-C3' 109.986 4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.728 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.154 2 O4'-C1'-N19 113.192 6.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.404 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.728 3 O4'-C1'-N19 112.364 5.705 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.609 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.609 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.105 2 O4'-C4'-C3' 110.624 5.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.8 m 36.35 92.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.83 89.19 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 94.17 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.265 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.14 60.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 3.8 mp0 -112.99 150.01 42.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.01 174.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.772 2.314 . . . . 0.0 112.233 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 171.1 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' ARG . 2.8 ttmm -173.23 91.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' O ' HG23 ' A' ' 11' ' ' THR . 4.6 mtp85 36.55 -157.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 161.25 -61.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 43.82 68.3 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -33.27 141.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -122.93 -90.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 2.8 ttpt -154.2 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 16.3 ttpp 54.03 75.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m-20 158.59 126.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CG ' HD22 ' A' ' 92' ' ' LEU . 26.1 Cg_endo -61.08 -64.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.824 2.349 . . . . 0.0 112.169 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.4 m-80 -88.85 -15.49 34.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 35.75 94.93 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.245 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 16.8 Cg_exo -67.03 -41.31 10.05 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.87 2.38 . . . . 0.0 112.001 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.713 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 9.4 mtpt 79.95 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -24.93 151.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.261 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -64.08 177.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.644 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.919 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.2 mp -74.69 -168.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.564 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -127.06 160.94 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 178.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.67 -19.6 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.773 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.2 t80 -79.98 -25.34 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.773 ' HE2' ' HB3' ' A' ' 28' ' ' TYR . 16.8 mmt -80.92 -47.25 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.83 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.81 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.7 m-85 -64.88 -45.13 87.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.9 t80 -65.69 -49.99 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.451 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.73 -21.61 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 177.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.5 m-20 -70.08 -48.54 57.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.79 ' O ' HD13 ' A' ' 38' ' ' ILE . 7.7 mm-40 -64.54 -42.92 95.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.72 ' HB2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.89 -71.28 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' A' ' 35' ' ' ASN . 16.5 ttp85 -8.89 -64.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 38' ' ' ILE . 12.0 p-10 -69.87 -51.99 28.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.875 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.79 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.3 mp -57.95 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.995 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 30.9 t -44.17 -60.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.24 -24.41 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 t -73.26 -25.38 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 mt-10 -91.13 -23.21 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.632 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.623 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 1.1 m-80 -135.23 58.96 29.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 34.2 Cg_exo -61.58 -30.41 85.88 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.904 2.403 . . . . 0.0 112.321 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.94 36.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.666 ' O ' ' CB ' ' A' ' 47' ' ' THR . 2.6 tt -99.79 -47.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.025 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 100.12 147.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -37.16 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -29.37 -31.58 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.133 -176.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.1 mm-40 -76.19 -55.87 5.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG23 HG12 ' A' ' 39' ' ' VAL . 13.1 p -65.9 -48.58 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.297 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -60.49 -60.91 7.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.637 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 3.4 mttt -59.12 -42.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.42 -22.4 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 178.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -69.14 -51.27 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.301 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -62.99 -48.66 78.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.367 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 9.1 pt-20 -55.72 -51.56 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.362 . . . . 0.0 110.695 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 25.7 mttt -68.1 -24.29 65.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.843 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.98 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.5 t-105 -57.98 -56.8 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.8 mtpm? -81.13 -13.41 58.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.4 -37.65 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.259 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.98 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.72 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.883 -179.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.89 147.63 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -41.33 -45.29 5.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.582 2.188 . . . . 0.0 112.141 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.29 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 178.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.7 mm-40 -58.67 -25.0 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.737 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 9.9 mtmt -81.14 -26.84 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.706 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.0 mt-30 -31.44 -50.55 0.46 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -54.27 -56.07 2.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.482 2.121 . . . . 0.0 112.366 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.607 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.51 -61.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.752 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 8.5 tt0 -40.19 -49.94 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.005 0.431 . . . . 0.0 110.459 178.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.02 -42.1 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.898 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.68 -18.31 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.42 173.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.3 -48.65 27.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.295 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 23.6 mt-30 -59.18 -34.99 72.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.071 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 79' ' ' LYS . . . -60.75 -42.66 97.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.735 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 11.5 t0 -76.34 -22.72 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.639 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.67 -46.94 88.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.536 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -68.06 -43.35 78.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.307 176.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.92 -60.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.72 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.81 -23.26 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.753 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 1.1 tt0 -53.4 -22.33 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t -72.47 -51.13 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 11.3 pt-20 -69.87 -11.77 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -86.65 -52.36 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 177.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' SER . 19.6 pt-20 -54.24 -35.71 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.543 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.15 -41.13 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.743 ' O ' HD23 ' A' ' 92' ' ' LEU . 42.4 t80 -37.03 -41.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.388 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -92.81 -29.76 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.54 9.92 3.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.569 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -139.86 -42.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.834 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.47 -31.56 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.806 178.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.158 2 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 112.199 5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.517 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.388 5.735 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.786 2 O4'-C4'-C3' 110.37 4.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.494 2 O4'-C1'-N19 112.664 6.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 1 O4'-C4'-C3' 110.252 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.46 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.852 3 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.56 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C1'-N19 112.673 6.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.608 1.525 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.919 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.573 4.717 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.063 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.606 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.461 2 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.399 3 N19-C1'-C2' 105.866 -5.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.4 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.036 2 O4'-C1'-N19 112.477 5.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.637 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.515 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.007 1 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.526 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 2 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.142 1 O4'-C4'-C3' 110.24 4.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.002 1 O4'-C4'-C3' 110.409 4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.722 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 109.775 4.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.722 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.984 2 O4'-C1'-N19 112.673 6.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.485 " O3'" ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.617 2 O4'-C1'-N19 112.708 6.135 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.546 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.496 -2.227 1 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.541 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.912 2 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.402 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.895 2 O4'-C1'-N19 112.509 5.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.994 1 O4'-C4'-C3' 109.926 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.169 2 O4'-C1'-N19 113.116 6.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.401 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.752 3 O4'-C1'-N19 112.367 5.709 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.621 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.018 1 O4'-C4'-C3' 110.145 4.545 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.621 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C4'-C3' 110.708 5.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -137.41 120.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -148.02 116.95 4.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 50.9 Cg_endo -69.03 167.05 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 174.06 -66.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.17 128.53 81.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . 56.2 Cg_exo -51.52 101.61 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.757 2.304 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmpt? -38.13 120.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 10.3 mmtm -56.38 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 11' ' ' THR . 1.5 ttp-105 -36.66 -72.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 12' ' ' THR . 37.2 m 64.79 -90.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.601 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.0 OUTLIER 36.72 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.9 OUTLIER -32.86 121.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.039 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -154.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 5.5 mttt -105.22 148.38 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 18.0 ttpp 167.98 76.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.7 m-20 159.05 150.36 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.758 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.8 Cg_endo -59.6 -54.83 2.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.101 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.54 ' ND2' ' HB3' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -116.8 -21.67 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 178.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 43.39 102.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.314 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.2 Cg_exo -67.43 -44.87 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.874 2.383 . . . . 0.0 112.068 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 89.76 49.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.249 178.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.74 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.84 -154.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -123.39 173.8 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.212 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.983 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -65.86 -169.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 175.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -129.29 159.9 34.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.45 -24.0 64.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.742 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.8 t80 -77.75 -22.98 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.96 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.983 ' HB2' HD23 ' A' ' 25' ' ' LEU . 14.2 mmt -80.95 -45.19 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.884 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.841 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.0 m-85 -65.45 -46.24 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.573 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.2 t80 -66.55 -54.56 22.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.32 -23.22 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.3 m-20 -68.13 -49.51 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.336 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mm-40 -63.1 -44.2 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.69 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -63.42 -72.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.64 ' C ' ' O ' ' A' ' 35' ' ' ASN . 4.6 ttp180 -5.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.6 m-20 -69.25 -55.19 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.92 -69.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 111.08 178.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.534 ' N ' HG22 ' A' ' 38' ' ' ILE . 24.4 t -48.45 -60.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.406 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.74 -13.4 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.007 -177.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -84.97 -27.27 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.769 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.67 -14.45 26.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.593 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.2 m-80 -141.52 59.57 10.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.858 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.6 Cg_exo -58.79 -17.11 34.58 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.933 2.422 . . . . 0.0 112.266 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -55.48 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.805 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.8 pt -50.93 136.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.87 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -94.56 176.83 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 3.1 t80 -39.62 -31.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -69.6 -45.36 59.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.24 -59.95 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.525 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.25 -36.24 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.49 -80.06 0.74 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.593 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 5.8 mtpt -39.88 -47.96 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.496 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -59.93 -48.48 81.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 177.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -37.29 -57.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 177.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -57.92 -42.09 94.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.275 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.0 tp10 -52.32 -55.53 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.71 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 mmmt -68.26 -23.8 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.924 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.938 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.7 t-105 -55.73 -54.06 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.432 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.8 mtpm? -84.59 -15.43 45.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.768 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.02 -33.61 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -58.51 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.47 148.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.377 -178.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.4 Cg_exo -41.3 -46.07 5.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.533 2.155 . . . . 0.0 112.137 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.43 -47.51 83.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 178.286 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.8 mm-40 -58.75 -25.85 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 mtmt -80.33 -26.85 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.843 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.6 mt-30 -31.22 -50.89 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.357 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.9 Cg_exo -53.56 -56.47 2.65 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.509 2.139 . . . . 0.0 112.394 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.595 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.84 -61.0 2.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.959 -177.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.784 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.22 -49.97 2.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.387 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.863 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' TYR . 5.4 tttt -59.69 -16.94 30.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.444 173.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.841 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.35 -48.95 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.236 178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.2 mt-30 -59.72 -33.6 71.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.112 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.26 85.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.709 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 14.3 t0 -70.88 -23.37 62.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HD3' " C3'" ' C' ' 125' ' ' ' DC' . 2.5 ttmt -61.65 -46.08 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.476 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 1.6 mmmt -70.54 -40.85 73.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -38.41 -61.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.673 177.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.87 -32.57 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.632 178.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.1 tt0 -44.46 -26.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -72.88 -48.31 38.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.6 pt-20 -66.88 -12.6 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.5 pttt -88.24 -51.59 5.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 83' ' ' SER . 9.2 pt-20 -52.04 -34.2 42.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.394 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.89 -40.5 20.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.322 176.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.643 ' O ' HD23 ' A' ' 92' ' ' LEU . 23.8 t80 -36.94 -41.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 175.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.456 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 6.3 p30 -92.63 -30.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -73.9 3.39 6.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -131.95 -47.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.758 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -63.45 -36.83 85.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.762 178.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.128 2 O4'-C1'-N19 113.857 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 2 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.833 2 O4'-C1'-N19 112.628 6.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.706 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.606 3 O4'-C4'-C3' 110.407 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.706 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.496 2 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.462 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.51 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.557 2 O4'-C1'-N19 113.468 7.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.523 ' OP2' ' CA ' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.887 2 O4'-C1'-N19 113.721 7.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.492 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.955 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C4'-C3' 110.094 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.13 2 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.616 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.484 2 O4'-C1'-N19 111.539 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.365 3 N19-C1'-C2' 105.679 -5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.427 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.983 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 2 O4'-C4'-C3' 110.175 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.495 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.755 5.155 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.495 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.12 1 O4'-C4'-C3' 110.181 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C4'-C3' 110.453 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.706 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.154 1 O4'-C4'-C3' 109.765 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.706 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.815 2 O4'-C1'-N19 112.539 5.923 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 112.301 5.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.542 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.493 -2.492 1 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.836 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.768 1 O4'-C1'-N19 113.712 7.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.836 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.956 2 O4'-C1'-N19 113.141 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.005 1 O4'-C4'-C3' 109.819 4.219 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.731 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.155 2 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.405 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.716 3 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.581 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.188 4.588 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.581 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.172 2 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 2' ' ' VAL . 27.8 m -119.38 87.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 128.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.95 101.37 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -31.67 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.8 mp0 -116.89 83.27 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 151.91 69.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 117.87 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' C ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -141.79 160.82 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.424 ' OG1' ' C ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER 57.66 176.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 74.78 25.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 3.3 ptt180 -34.25 155.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.901 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.1 mtmt -141.37 49.72 1.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 53.68 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 5.3 ttpp 158.43 70.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.758 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 m-20 156.71 142.87 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.679 ' HG2' HD22 ' A' ' 92' ' ' LEU . 24.6 Cg_endo -60.16 -59.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 111.963 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' OD1' ' HB3' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.17 -30.19 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 176.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 42.35 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.358 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.614 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 43.8 Cg_exo -55.54 -48.63 19.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.811 2.34 . . . . 0.0 111.809 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 88.22 53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.251 177.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER 31.76 -158.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 178.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -114.01 -171.68 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.179 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.846 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.2 mp -83.34 -173.82 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.298 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.589 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -124.64 161.5 26.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -60.35 -17.79 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.417 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 17.2 t80 -81.83 -24.25 35.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.983 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.736 ' HB2' HD23 ' A' ' 25' ' ' LEU . 15.0 mmt -79.86 -48.16 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.833 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -66.38 -44.25 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.698 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 14.0 t80 -65.45 -54.68 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.493 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.69 -24.77 23.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 6.0 m-20 -66.03 -49.0 69.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.429 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 38' ' ' ILE . 59.5 mm-40 -64.8 -45.21 87.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 177.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.661 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.85 -72.9 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttp180 -5.72 -67.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.588 ' O ' ' CB ' ' A' ' 41' ' ' SER . 14.8 p-10 -70.89 -52.97 16.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -53.12 -70.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.938 178.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 41.1 t -49.43 -60.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.409 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.74 -11.28 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -177.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 12.1 t -86.9 -29.39 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.29 -14.15 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' HB3' HG12 ' A' ' 46' ' ' ILE . 8.4 m-80 -142.45 60.98 10.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.5 Cg_exo -59.19 -18.8 46.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.91 2.407 . . . . 0.0 112.242 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.76 -56.43 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.1 pt -49.7 136.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.86 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -97.87 178.37 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.608 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.41 -33.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -68.73 -45.82 63.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.863 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.565 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -85.15 -59.24 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 0.0 110.592 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -55.97 -35.48 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -77.86 -79.82 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.563 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.487 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 1.1 mtpm? -39.62 -49.01 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.513 177.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -38.56 -54.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.935 0.397 . . . . 0.0 110.509 177.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -60.79 -40.89 98.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.259 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 -57.76 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 110.713 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.038 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.2 t-105 -56.0 -51.91 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 3.8 mtmp? -85.82 -17.3 36.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.32 -30.13 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.404 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -55.15 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.132 -178.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 147.96 144.66 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.7 Cg_exo -44.07 -23.28 0.64 Allowed 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.611 2.207 . . . . 0.0 112.681 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 0.1 OUTLIER -78.72 -42.09 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.634 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 1.3 mm-40 -70.33 -25.55 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 6.4 mttt -90.53 -27.77 18.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -46.81 -34.34 3.78 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.221 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 37.1 Cg_exo -61.88 -50.02 5.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.513 2.142 . . . . 0.0 112.157 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.73 -56.0 4.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.748 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.4 tt0 -44.69 -46.85 10.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.31 -40.41 96.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -62.95 -15.08 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.358 173.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.833 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.27 -49.4 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.205 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 8.5 mt-30 -58.62 -36.12 73.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.67 92.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.733 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD2' HD13 ' A' ' 25' ' ' LEU . 7.2 t0 -75.25 -20.87 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.633 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -61.61 -46.79 88.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.49 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 1.3 mttm -66.9 -42.36 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.434 176.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.535 ' CZ ' ' O ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -39.54 -60.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 177.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.699 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.43 -32.31 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 178.647 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.9 tt0 -48.71 -27.43 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 20.4 t -71.36 -42.96 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.596 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.759 ' HA ' HD21 ' A' ' 87' ' ' LEU . 5.8 tp10 -69.91 -23.43 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.092 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -81.57 -38.99 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 8.5 pt-20 -62.58 -43.19 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 84' ' ' GLU . 2.9 pp -70.86 -44.03 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.238 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.707 ' N ' HD12 ' A' ' 87' ' ' LEU . 52.2 t80 -34.06 -65.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.2 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 m-80 -56.63 -40.7 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -71.13 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.573 HG22 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -32.3 -57.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.29 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -58.84 -45.08 90.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -178.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.506 -1.247 2 O4'-C1'-N19 113.907 7.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.057 2 O4'-C1'-N19 112.811 6.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 2 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.708 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.608 1.543 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.708 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.615 2 O4'-C1'-N19 112.402 5.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 1 O4'-C4'-C3' 110.33 4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.553 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.234 2 O4'-C1'-N19 114.302 8.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.557 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.733 2 O4'-C1'-N19 112.771 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.509 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.149 2 O4'-C1'-N19 113.925 7.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.846 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.188 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.255 2 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.608 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.553 2 O4'-C1'-N19 111.783 4.978 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.54 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.396 3 N19-C1'-C2' 105.65 -5.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.428 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.014 2 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C4'-C3' 110.143 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.499 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.921 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.499 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 2 O4'-C4'-C3' 109.991 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.117 1 O4'-C4'-C3' 110.137 4.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.727 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C4'-C3' 110.445 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.665 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.2 1 O4'-C4'-C3' 109.847 4.247 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.665 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 2 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.589 2 O4'-C1'-N19 112.449 5.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.539 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.19 1 O4'-C4'-C3' 110.179 4.579 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.542 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.02 2 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.402 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C4'-C3' 109.904 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.725 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.226 2 O4'-C1'-N19 113.196 6.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 3 O4'-C1'-N19 112.605 6.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.58 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.931 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.58 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.94 2 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' THR . 7.4 p -56.03 143.87 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 4' ' ' PRO . 16.5 p -37.32 159.53 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 3' ' ' THR . 53.2 Cg_endo -69.8 -11.75 31.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.4 36.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.4 81.4 5.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 123.6 10.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 28.5 tptt -116.89 73.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mttm 159.42 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -63.88 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ARG . 3.5 m 83.61 -10.03 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.934 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 17.8 p -33.37 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.08 151.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -132.48 -91.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -91.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 8.2 ttpp 47.56 73.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.5 m-20 158.82 135.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.922 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.6 Cg_endo -59.17 -64.19 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.861 2.374 . . . . 0.0 112.019 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.548 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-80 -95.05 -29.83 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.564 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . . . 50.96 79.5 0.34 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.408 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.8 Cg_endo -57.22 -53.17 5.16 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.76 2.307 . . . . 0.0 111.92 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 89.95 54.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.31 177.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 30.48 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -132.37 -175.63 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.872 HD21 H5'' ' B' ' 110' ' ' ' DG' . 2.8 mp -72.1 -174.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -129.92 163.55 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.16 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.602 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 20.7 t80 -80.81 -29.78 35.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.812 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.5 mmt -77.47 -46.21 23.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.862 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.2 m-85 -67.51 -44.62 77.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.728 ' CE1' HD11 ' A' ' 62' ' ' LEU . 18.4 t80 -66.4 -58.37 5.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -51.07 -26.02 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.9 m-20 -66.01 -49.18 68.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 38' ' ' ILE . 74.4 mm-40 -63.3 -44.95 93.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.01 -72.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 35' ' ' ASN . 10.6 ttp180 -6.42 -66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.06 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 41' ' ' SER . 20.1 m-20 -68.35 -55.45 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.779 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.21 -70.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 178.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 38' ' ' ILE . 20.3 t -46.67 -60.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.396 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.44 -16.22 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.086 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.5 m -80.39 -28.25 37.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.796 178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.23 -16.39 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.627 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.584 ' HB3' HG12 ' A' ' 46' ' ' ILE . 7.5 m-80 -140.13 60.88 15.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.845 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 37.6 Cg_exo -59.12 -21.14 57.82 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.964 2.443 . . . . 0.0 112.236 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -56.02 9.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' CA ' ' A' ' 51' ' ' VAL . 8.5 pt -50.97 136.56 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.839 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -98.53 178.03 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -36.91 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -69.74 -45.81 56.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.965 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.62 -56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 110.639 179.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -58.87 -35.13 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -73.49 -76.46 0.67 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.621 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 21.1 mtpt -46.71 -44.5 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 1.1 tptm -59.61 -40.5 87.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.626 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -52.08 -53.62 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -55.8 -55.26 29.84 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.654 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.1 pt-20 -51.4 -44.65 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.711 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.4 mtpp -70.76 -26.64 63.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.796 ' O ' HD12 ' A' ' 62' ' ' LEU . 17.5 t-105 -57.39 -57.65 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 4.8 mtmp? -76.95 -18.4 58.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.6 -30.05 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 59' ' ' TRP . 1.8 mt -56.29 -84.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.967 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 152.29 148.5 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.364 -178.321 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.0 Cg_exo -40.96 -45.17 5.04 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.531 2.154 . . . . 0.0 112.322 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -60.75 -47.94 84.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.96 -33.86 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.695 178.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.1 mtmt -74.78 -27.21 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.826 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.713 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.3 mt-30 -27.12 -59.59 0.2 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.3 Cg_endo -50.9 -56.53 2.98 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.884 2.389 . . . . 0.0 112.568 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.13 -63.78 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.17 -176.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -39.7 -50.65 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.364 178.398 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.62 -42.11 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.976 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -61.38 -15.28 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.454 173.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.871 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.36 -44.63 24.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.345 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -64.85 -30.44 71.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.079 173.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.803 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.57 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 15.3 t0 -72.28 -27.49 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.0 OUTLIER -61.07 -42.83 99.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 177.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 14.0 mtpp -69.6 -42.53 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.83 -58.27 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.518 177.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -72.69 -33.76 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 177.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.3 tt0 -46.29 -24.79 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -74.1 -47.58 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.666 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 2.3 pt-20 -69.01 -14.47 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.879 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -87.69 -47.79 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 177.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.9 pt-20 -53.63 -36.15 61.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.198 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.824 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.43 -39.73 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.304 175.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.661 ' O ' HD23 ' A' ' 92' ' ' LEU . 37.3 t80 -36.68 -42.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.33 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -92.56 -30.25 15.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 177.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.06 4.05 7.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.548 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -132.5 -46.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.922 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.36 -34.15 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.829 179.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.087 2 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 2 O4'-C1'-N19 112.659 6.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 2 O4'-C1'-N19 112.923 6.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.603 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.588 3 O4'-C4'-C3' 110.332 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.603 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.681 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.195 1 O4'-C4'-C3' 110.403 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.681 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.186 2 O4'-C1'-N19 114.015 7.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.535 " C5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.628 2 O4'-C1'-N19 112.737 6.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.512 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.528 2.18 2 O4'-C1'-N19 113.704 7.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.872 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.14 2 O4'-C4'-C3' 110.151 4.551 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.598 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.197 2 O4'-C1'-N19 112.216 5.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.6 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.418 2 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.557 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.338 3 N19-C1'-C2' 105.724 -5.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.422 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.101 2 O4'-C1'-N19 112.459 5.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 2 O4'-C4'-C3' 110.121 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.506 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.506 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.821 2 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.934 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.168 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C4'-C3' 110.421 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.716 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.217 1 O4'-C4'-C3' 109.873 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.716 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 2 O4'-C1'-N19 112.711 6.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.435 " O4'" ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.609 1.581 2 O4'-C1'-N19 112.487 5.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.609 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.5 -1.819 1 O4'-C4'-C3' 110.195 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.672 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 114.726 8.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.672 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.547 2 O4'-C1'-N19 111.901 5.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C4'-C3' 109.863 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.734 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 2 O4'-C1'-N19 113.107 6.633 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C5 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.835 3 O4'-C1'-N19 112.682 6.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.642 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.149 1 O4'-C4'-C3' 110.133 4.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.642 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.066 2 O4'-C4'-C3' 110.581 4.981 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.53 76.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.593 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.51 -43.12 0.82 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 3' ' ' THR . 53.5 Cg_exo -52.01 101.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -13.05 11.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.88 134.89 23.23 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 121.54 8.26 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.764 2.31 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -101.46 25.22 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 2.2 mttm 174.73 153.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -132.28 150.76 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.976 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.722 ' C ' HG22 ' A' ' 12' ' ' THR . 24.2 p 53.4 164.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.722 HG22 ' C ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 156.62 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.653 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -31.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -78.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -153.58 147.85 25.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER 169.16 132.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-20 85.04 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG2' HD22 ' A' ' 92' ' ' LEU . 23.0 Cg_endo -60.25 -63.49 0.12 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.846 2.364 . . . . 0.0 112.101 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' ALA . 2.1 m-80 -89.18 -21.08 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 34.7 96.68 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.346 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 16.7 Cg_exo -67.07 -49.48 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.884 2.39 . . . . 0.0 111.956 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 89.26 52.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.251 177.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.752 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 29.13 -154.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -121.08 -172.44 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 2.1 mp -79.17 -175.69 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.331 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -124.31 159.92 29.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.49 -19.36 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.578 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.775 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 21.3 t80 -78.89 -32.67 45.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.963 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.775 ' HE2' ' HB3' ' A' ' 28' ' ' TYR . 11.7 mmt -72.4 -49.78 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.834 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.4 m-85 -63.04 -48.96 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.66 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.8 t80 -65.46 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.521 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 28' ' ' TYR . . . -45.33 -23.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 29' ' ' MET . 7.8 m-20 -67.21 -50.25 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.585 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.593 ' O ' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.51 -41.9 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.8 m-80 -78.13 -10.05 59.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.778 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' ASP . 1.1 ttt180 -66.98 -55.15 15.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -74.85 -36.64 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -65.04 -71.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 38' ' ' ILE . 61.1 t -45.96 -54.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -62.42 -29.39 70.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.888 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 3.6 t -68.96 -24.39 64.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mt-10 -96.2 -16.68 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -148.72 62.79 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HB3' ' NH2' ' A' ' 40' ' ' ARG . 31.8 Cg_exo -61.35 -32.41 89.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 123.016 2.477 . . . . 0.0 112.321 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.93 39.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.292 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.738 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 tt -88.91 -46.65 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.218 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.738 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 53.6 m 119.86 152.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -58.25 -48.31 80.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 47' ' ' THR . . . -72.27 -0.76 47.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -99.15 -65.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -68.17 -43.28 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 178.359 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.39 -61.17 6.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.399 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CD ' " O5'" ' C' ' 121' ' ' ' DC' . 0.0 OUTLIER -59.94 -28.41 67.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptp -75.21 -25.76 58.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.737 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -73.74 -37.83 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -69.07 -55.46 10.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.294 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 23.4 pt-20 -58.44 -51.37 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.67 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.3 mmpt? -62.85 -30.15 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.789 ' O ' HD12 ' A' ' 62' ' ' LEU . 13.4 t-105 -57.26 -53.76 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.612 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 5.3 mtpm? -88.89 -3.26 58.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -79.34 -35.73 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.87 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 152.09 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 -178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 63' ' ' THR . 90.8 Cg_exo -42.26 -47.01 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.553 2.169 . . . . 0.0 112.114 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.07 -46.88 82.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 177.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.2 mm-40 -58.92 -25.36 63.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 13.3 mtmt -81.27 -26.46 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.718 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.26 -50.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.53 -56.46 2.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.49 2.126 . . . . 0.0 112.364 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.624 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.11 -61.1 2.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.132 -177.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -40.55 -50.05 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.0 -41.66 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.968 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.79 -16.95 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.419 173.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.834 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.87 -48.21 22.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 24.4 mt-30 -61.1 -33.02 72.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.131 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.82 89.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.784 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 25' ' ' LEU . 8.8 t70 -72.97 -24.0 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -60.98 -47.6 85.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 3.1 mptp? -68.1 -42.82 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.552 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.98 -57.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 177.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.752 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.88 -34.58 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.635 178.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 1.1 tt0 -45.81 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 92.3 p -73.63 -47.88 36.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.572 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 1.8 pt-20 -70.5 -12.32 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.0 pttp -88.65 -50.26 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.478 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 83' ' ' SER . 8.9 pt-20 -53.31 -35.38 60.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.391 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.77 -41.16 21.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.253 176.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.801 ' O ' HD23 ' A' ' 92' ' ' LEU . 27.4 t80 -35.94 -42.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.343 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 26.6 m-80 -92.72 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.932 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -74.46 2.64 9.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.231 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.1 -45.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.679 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -70.27 -31.96 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.206 2 O4'-C1'-N19 111.68 4.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 2 O4'-C1'-N19 112.032 5.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.929 2 O4'-C1'-N19 112.507 5.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.55 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.698 3 O4'-C4'-C3' 110.34 4.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.55 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.434 2 O4'-C1'-N19 112.002 5.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.532 ' C6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.025 1 O4'-C4'-C3' 110.414 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.547 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.184 2 O4'-C1'-N19 114.254 8.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.575 " C1'" ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.845 2 O4'-C1'-N19 112.678 6.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 ' O2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 113.931 7.664 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.821 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C4'-C3' 110.167 4.567 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.59 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.244 2 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.59 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.547 2 O4'-C4'-C3' 110.123 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.356 3 N19-C1'-C2' 106.014 -5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.498 -1.967 2 O4'-C1'-N19 112.251 5.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.022 2 O4'-C1'-N19 112.078 5.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.941 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.503 3 O4'-C4'-C3' 110.343 4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.941 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.687 2 O4'-C4'-C3' 109.749 4.149 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.045 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C4'-C3' 110.39 4.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C4'-C3' 109.694 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.605 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.611 1.761 2 O4'-C1'-N19 112.736 6.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.594 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.629 2 O4'-C1'-N19 112.449 5.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' OP1' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.495 -2.321 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.534 ' O2 ' ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.193 2 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.438 H2'' ' N7 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 2 O4'-C1'-N19 113.115 6.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C4'-C3' 109.961 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.159 2 O4'-C1'-N19 113.191 6.738 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.612 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C4'-C3' 110.155 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.612 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 2' ' ' VAL . 8.3 p -150.78 48.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 57.82 126.46 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.97 -30.62 21.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 7.3 mmm180 72.65 168.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.26 78.91 67.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.91 157.45 60.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.759 2.306 . . . . 0.0 112.271 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -158.8 -43.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 pttp 171.28 162.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' NE ' ' O4 ' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -153.2 -81.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.791 HG21 ' OP2' ' C' ' 119' ' ' ' DA' . 27.8 p 58.22 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' C ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 156.93 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -33.13 153.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? 69.47 84.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 -47.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER -118.71 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 6.3 m-20 -163.68 117.03 1.05 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 1.012 ' HG2' HD22 ' A' ' 92' ' ' LEU . 29.3 Cg_endo -63.15 -65.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.625 2.217 . . . . 0.0 112.182 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.576 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 3.4 m-80 -97.72 -17.58 19.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 37.37 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.656 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 21.2 Cg_exo -66.77 -56.96 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.803 2.336 . . . . 0.0 112.376 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 mttm 101.65 78.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.994 ' NH2' ' HB3' ' A' ' 24' ' ' ALA . 3.5 ptm180 -42.2 178.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.275 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.994 ' HB3' ' NH2' ' A' ' 23' ' ' ARG . . . -33.53 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.877 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 1.4 tt -99.2 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 29' ' ' MET . 0.1 OUTLIER 53.23 129.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -65.38 -19.22 65.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.471 174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 20.6 t80 -78.47 -20.47 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.722 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.9 mmt -86.02 -40.49 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.78 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.806 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 13.7 m-85 -61.89 -50.24 73.01 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.078 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 2.2 t80 -64.42 -47.36 79.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.56 -22.93 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 7.7 m-80 -71.13 -48.28 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.587 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.4 mm-40 -62.02 -44.32 96.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.99 -72.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' C ' ' O ' ' A' ' 35' ' ' ASN . 20.8 ttt180 -9.3 -64.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.602 ' OD1' HD13 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -68.15 -54.09 20.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.869 179.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.7 mp -59.69 -71.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.669 ' N ' HG22 ' A' ' 38' ' ' ILE . 22.5 t -44.01 -59.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.291 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.56 -26.51 68.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.926 -178.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.9 m -68.94 -27.21 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.712 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 4.0 mt-10 -91.19 -21.39 21.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.639 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.655 ' CB ' HD12 ' A' ' 46' ' ' ILE . 1.3 m-80 -138.63 58.26 13.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 38.3 Cg_exo -62.57 -30.09 78.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 123.036 2.491 . . . . 0.0 112.349 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.49 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.335 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.704 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.5 tt -97.34 -48.59 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.1 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.938 ' O ' HG12 ' A' ' 51' ' ' VAL . 51.4 m 110.36 159.08 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 0.9 OUTLIER -54.7 -49.93 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.453 -178.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' CA ' ' NE2' ' A' ' 50' ' ' GLN . . . -64.16 -7.24 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.779 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.67 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -105.04 -65.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 0.0 110.381 179.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 47' ' ' THR . 1.5 p -53.45 -47.97 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.064 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.99 -73.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.774 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 3.2 mttp -45.74 -50.0 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -60.42 -37.26 80.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.7 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD21 ' OD1' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -50.01 -54.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.412 . . . . 0.0 110.638 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.55 -37.53 94.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.319 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.05 -59.45 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.84 -23.21 66.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 16.3 t-105 -56.74 -57.49 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HE2' ' OP1' ' C' ' 123' ' ' ' DA' . 0.3 OUTLIER -74.2 -23.33 59.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.45 -23.95 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.693 ' O ' ' CB ' ' A' ' 63' ' ' THR . 13.8 mt -53.81 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.026 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' HD2' ' A' ' 64' ' ' PRO . 2.5 m 137.07 148.35 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.922 ' HD2' HG23 ' A' ' 63' ' ' THR . 82.8 Cg_exo -40.99 -50.72 4.05 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.614 2.209 . . . . 0.0 112.49 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -55.66 -41.42 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.961 179.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.618 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.4 mm-40 -65.74 -28.38 69.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 25.4 mtmt -78.52 -36.36 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.824 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 8.3 mt-30 -35.73 -49.33 1.45 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 71.6 Cg_exo -45.68 -59.23 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.383 2.055 . . . . 0.0 112.093 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.634 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -83.33 -64.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.046 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.8 tt0 -37.3 -51.18 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.49 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.37 -44.81 95.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.945 173.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' A' ' 70' ' ' TYR . 2.0 mttm -57.55 -16.28 9.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.508 173.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.806 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.19 -43.81 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.331 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 19.0 mt-30 -63.97 -32.54 74.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.042 173.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.88 70.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.812 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -74.61 -13.96 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 177.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -68.45 -48.04 65.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.431 178.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 3.3 ttpp -68.96 -38.88 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.429 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -48.4 -48.62 36.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.505 177.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.63 -40.52 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 177.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 2.0 tt0 -43.32 -34.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.659 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.0 m -71.53 -52.7 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.496 177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 tp10 -53.33 -23.64 9.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.867 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -83.89 -35.6 23.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.533 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -57.54 -33.55 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.286 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.778 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -83.0 -41.97 18.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.238 175.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.754 ' O ' HD23 ' A' ' 92' ' ' LEU . 35.3 t80 -38.1 -39.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.352 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -93.9 -29.24 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.819 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.08 4.19 8.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.576 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -134.81 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.012 HD22 ' HG2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -73.68 -30.23 62.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.925 179.074 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.119 2 O4'-C1'-N19 113.857 7.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.009 2 O4'-C1'-N19 112.593 5.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.763 2 O4'-C1'-N19 112.611 6.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.707 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 3 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.707 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 2 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.055 2 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.528 ' O4 ' ' NE ' ' A' ' 10' ' ' ARG . . . . . . . . 0 P--O5' 1.613 1.998 2 O4'-C1'-N19 113.874 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.578 ' O2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 115.136 9.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.877 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.452 2 O4'-C4'-C3' 110.127 4.527 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.595 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.134 2 O4'-C1'-N19 111.987 5.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.595 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.378 2 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.568 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.263 3 N19-C1'-C2' 105.775 -5.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.419 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.116 2 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 2 O4'-C4'-C3' 110.107 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.496 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.496 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.819 2 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C4'-C3' 110.159 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.791 ' OP2' HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.171 1 O4'-C4'-C3' 110.435 4.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.562 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C4'-C3' 109.877 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.587 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.43 ' C2 ' ' CE ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.524 1.606 2 O4'-C1'-N19 112.573 5.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.523 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.384 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.551 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.9 2 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 2 O4'-C1'-N19 112.756 6.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.294 1 O4'-C4'-C3' 109.792 4.192 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.732 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.616 2.309 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.761 3 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.579 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C4'-C3' 110.208 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.579 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.061 2 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 2' ' ' VAL . 6.2 p -148.19 24.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.55 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 7.5 m -44.48 -55.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 3' ' ' THR . 48.6 Cg_endo -68.83 104.62 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -95.84 -178.27 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' OE2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.1 OUTLIER -100.56 162.2 21.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' GLU . 54.2 Cg_exo -51.85 -164.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.64 135.3 50.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? 178.9 145.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB3' ' P ' ' C' ' 119' ' ' ' DA' . 0.1 OUTLIER -95.94 -72.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -33.28 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER 62.72 -178.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.672 ' H ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER 29.01 82.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -85.45 -89.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 10.9 tttp -165.98 -91.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 11.3 pttp 49.44 173.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 1.9 m-20 71.76 135.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.732 ' HG3' HD23 ' A' ' 92' ' ' LEU . 27.6 Cg_endo -61.54 -63.19 0.1 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.84 2.36 . . . . 0.0 112.018 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 1.8 m-80 -94.29 -25.79 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . 34.12 82.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.302 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.648 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 51.9 Cg_exo -54.79 -46.5 32.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.058 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 11.6 mttp 88.35 54.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.217 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.686 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER 31.57 -155.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 178.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . . . -119.56 175.39 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.96 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 0.4 OUTLIER -69.12 -166.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.513 176.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.583 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 1.1 t -131.64 161.39 32.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.986 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.91 -20.12 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.786 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 4.9 t80 -80.46 -24.02 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.95 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.4 mmt -80.8 -45.99 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -66.41 -45.05 81.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.6 t80 -66.81 -54.81 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -54.64 -24.86 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 29' ' ' MET . 10.8 m-20 -66.74 -49.33 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.693 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.1 mt-10 -62.38 -46.44 88.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.822 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.57 -74.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.636 ' C ' ' O ' ' A' ' 35' ' ' ASN . 7.0 ttt180 -7.27 -66.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 m-20 -65.69 -55.61 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.838 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.5 mp -59.25 -70.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.061 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' ILE . 6.8 t -40.74 -62.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.361 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -63.39 -24.93 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.977 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.8 m -68.5 -25.6 65.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.724 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -94.2 -21.45 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.432 178.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.569 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 6.7 m-80 -134.64 59.64 36.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.82 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.5 Cg_exo -59.03 -12.46 15.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.875 2.384 . . . . 0.0 112.294 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.42 -54.03 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.714 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.1 pt -47.19 137.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.011 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -88.47 -168.57 2.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.519 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.3 t80 -57.67 -33.49 68.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -75.58 -6.54 81.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.064 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -113.06 -59.9 1.96 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.011 HG12 ' O ' ' A' ' 47' ' ' THR . 1.4 p -57.51 -37.63 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.082 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.62 -75.4 0.61 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.658 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -47.75 -44.7 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.743 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 3.5 mmtm -60.23 -38.56 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.708 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -55.16 -53.04 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.78 179.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -56.73 -55.03 32.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.594 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 9.9 pt-20 -49.88 -45.86 51.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.411 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -71.69 -26.93 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.973 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.2 t-105 -56.21 -54.22 47.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 2.1 mttm -83.68 -17.16 42.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -63.94 -35.99 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.12 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.863 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.05 147.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.415 -178.416 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 63' ' ' THR . 97.3 Cg_exo -41.19 -45.71 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.546 2.164 . . . . 0.0 112.169 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.17 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 178.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.81 -25.46 63.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 177.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 8.8 mtmt -81.21 -26.09 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.695 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.8 mt-30 -31.58 -50.45 0.47 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.695 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.3 Cg_exo -53.91 -56.22 2.79 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.416 2.077 . . . . 0.0 112.454 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.89 -60.75 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.033 -177.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 49.1 tt0 -40.42 -49.59 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.356 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.25 -42.39 98.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.73 -16.83 30.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.41 173.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.828 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.81 -49.4 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.195 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.4 mt-30 -59.57 -32.42 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.148 174.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.15 81.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.755 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 8.4 t0 -71.77 -20.84 61.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.595 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.4 ttmt -63.88 -49.06 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 177.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -65.38 -39.92 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.355 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.536 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -42.55 -59.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 177.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.686 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.79 -27.97 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.6 tt0 -55.91 -24.7 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -77.29 -34.34 55.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.351 176.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.618 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp10 -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.846 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 4.8 pttp -76.92 -46.31 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 4.3 pt-20 -53.31 -34.25 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.259 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.88 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -86.72 -25.03 24.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.417 175.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 85' ' ' LYS . 13.4 t80 -49.72 -40.42 40.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.005 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -93.67 -31.05 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.724 176.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.88 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -64.8 -10.62 29.31 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -123.38 -41.01 2.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.351 178.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 tm? -46.8 -46.69 20.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.272 2 O4'-C1'-N19 113.904 7.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 2 O4'-C1'-N19 112.663 6.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 2 O4'-C1'-N19 112.701 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.7 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.691 3 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.7 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.571 5.964 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.564 ' N7 ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C3'--C2' 1.501 -1.728 1 O4'-C4'-C3' 110.098 4.498 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.521 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 3 O4'-C1'-N19 113.478 7.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.521 ' H71' ' C8 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.905 2 O4'-C1'-N19 113.653 7.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.532 2.668 1 O4'-C1'-N19 114.914 8.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.96 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.431 2 O4'-C4'-C3' 110.051 4.451 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.238 2 O4'-C1'-N19 112.332 5.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.612 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.505 2 O4'-C1'-N19 111.663 4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.527 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.364 3 N19-C1'-C2' 105.664 -5.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.415 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.985 2 O4'-C1'-N19 112.499 5.874 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 2 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.494 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.013 1 O4'-C4'-C3' 110.67 5.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.494 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.66 2 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C4'-C3' 110.063 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.735 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.714 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C4'-C3' 109.818 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.714 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.878 2 O4'-C1'-N19 112.581 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.45 ' H2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.523 1.542 2 O4'-C1'-N19 112.583 5.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.575 ' C6 ' ' C4 ' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.312 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.858 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.865 1 O4'-C1'-N19 114.269 8.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.858 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.263 2 O4'-C1'-N19 113.282 6.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.191 1 O4'-C4'-C3' 109.786 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.72 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 2 O4'-C1'-N19 113.214 6.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.641 6.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.584 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.988 1 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.584 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.128 2 O4'-C4'-C3' 110.697 5.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -36.63 -39.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.7 m -145.88 130.55 8.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.284 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.31 -13.03 61.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.0 132.43 8.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 54.0 Cg_endo -69.79 -3.25 11.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.748 2.299 . . . . 0.0 112.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 68.21 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.92 162.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 67.85 175.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.734 HG23 ' P ' ' B' ' 107' ' ' ' DA' . 1.2 m 155.94 -20.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 12' ' ' THR . 98.4 m 48.35 36.31 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CA ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.1 OUTLIER -30.72 128.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.159 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 21.9 mtpt 85.11 87.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 169.71 51.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 158.86 94.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.768 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 1.3 p30 158.73 121.58 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.856 ' CG ' HD22 ' A' ' 92' ' ' LEU . 25.3 Cg_endo -60.68 -66.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.586 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.6 m-80 -93.64 -17.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB2' ' CG ' ' A' ' 17' ' ' ASP . . . 35.95 93.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.242 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 23.2 Cg_exo -63.84 -64.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.815 2.344 . . . . 0.0 112.02 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 18.5 mtpt 98.47 79.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.801 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -22.66 144.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.173 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . . . -68.86 170.7 9.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.547 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.939 HD21 H5'' ' B' ' 110' ' ' ' DG' . 4.5 mp -57.43 -170.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.609 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -131.54 164.73 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.087 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -57.67 -17.36 14.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.618 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.0 t80 -80.9 -29.36 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.175 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.837 ' HB2' HD23 ' A' ' 25' ' ' LEU . 9.8 mmt -79.23 -44.55 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.849 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.836 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.1 m-85 -66.71 -46.39 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.72 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 9.5 t80 -65.77 -53.86 34.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.45 -23.35 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 8.2 m-20 -67.21 -48.44 67.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.6 mt-10 -65.14 -45.48 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.93 -71.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.624 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.0 ttt180 -8.9 -65.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.146 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.5 m-20 -69.41 -52.15 29.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.2 -69.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' CG1' HG23 ' A' ' 51' ' ' VAL . 46.2 t -47.36 -60.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.451 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.55 -18.22 61.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -178.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.8 t -78.27 -27.9 47.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 44' ' ' PRO . 8.0 mt-10 -94.54 -13.05 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.527 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.1 m-80 -137.94 59.59 19.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.843 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.7 Cg_exo -65.84 -5.73 12.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.797 2.331 . . . . 0.0 112.382 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.44 60.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.371 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.669 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -128.54 -40.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.863 176.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.669 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 12.7 m 102.91 151.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.883 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.14 -84.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.307 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -30.1 -31.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.098 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 mm-40 -73.73 -56.67 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 110.423 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG23 ' CG1' ' A' ' 39' ' ' VAL . 14.5 p -68.39 -50.74 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.2 -59.24 10.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.625 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 7.3 mttp -62.6 -28.06 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 9.3 mmtt -75.56 -22.14 57.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 177.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 12.3 mt -75.11 -42.42 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.548 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.93 -51.79 37.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.325 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 12.4 pt-20 -62.06 -52.78 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.721 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -63.7 -25.24 68.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 178.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.966 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.2 t-105 -59.46 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HE3' " O3'" ' C' ' 122' ' ' ' DA' . 4.3 mtmp? -75.28 -9.55 58.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.677 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -72.64 -38.78 67.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.966 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -55.05 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.944 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.618 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.21 146.4 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.425 -178.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.5 Cg_exo -40.73 -43.88 4.55 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.154 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.14 -49.01 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 178.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.0 mm-40 -57.92 -25.01 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 7.3 mtmt -81.78 -27.18 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.32 -50.77 0.45 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.0 Cg_exo -54.23 -56.75 2.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.459 2.106 . . . . 0.0 112.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.2 -61.02 2.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.102 -177.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 tm-20 -40.87 -49.81 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.008 0.433 . . . . 0.0 110.322 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.85 -41.74 96.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.956 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.85 -15.21 40.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.453 174.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.16 -43.11 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.428 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.52 -31.05 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.981 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.96 78.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.825 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 5.9 t70 -74.16 -26.83 60.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.545 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 3.5 ttmt -59.32 -42.81 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.373 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.586 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -68.33 -45.32 73.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.369 175.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.557 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.0 -58.33 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.599 177.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.79 -25.23 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 177.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -54.36 -19.8 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 71.9 m -76.08 -44.62 38.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.561 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 19.5 pt-20 -71.57 -18.12 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.19 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.663 ' CE ' ' P ' ' C' ' 127' ' ' ' DC' . 0.1 OUTLIER -86.34 -48.02 8.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.568 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 87' ' ' LEU . 10.9 pt-20 -54.23 -37.41 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.538 176.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.23 -41.35 22.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.336 176.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 92' ' ' LEU . 50.0 t80 -37.39 -40.87 0.39 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 5.6 p30 -92.13 -30.75 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.791 177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.58 10.39 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.586 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.7 -42.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -77.89 -29.49 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.159 2 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 2 O4'-C1'-N19 111.956 5.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.868 2 O4'-C1'-N19 112.623 6.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 2 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.434 H2'' ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C4'-C3' 110.066 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.434 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.929 1 O4'-C4'-C3' 110.21 4.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.734 ' P ' HG23 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.928 3 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.589 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.093 2 O4'-C1'-N19 113.264 6.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 P--O5' 1.608 1.501 2 O4'-C1'-N19 114.163 7.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.939 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.593 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.27 2 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.599 ' O2 ' ' CG ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.523 1.511 2 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.491 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.342 3 N19-C1'-C2' 105.705 -5.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.417 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.977 2 O4'-C1'-N19 112.732 6.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 2 O4'-C1'-N19 111.667 4.833 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.509 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C4'-C3' 110.674 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.509 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 2 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.185 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.732 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.128 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.737 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C4'-C3' 109.793 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.737 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.165 2 O4'-C1'-N19 112.84 6.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.523 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.61 1.705 2 O4'-C1'-N19 112.787 6.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.547 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.517 2 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.727 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.353 2 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.727 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.849 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 2 O4'-C1'-N19 112.344 5.68 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.849 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 112.913 6.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 2 O4'-C1'-N19 112.274 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.626 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.892 1 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.626 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.166 2 O4'-C4'-C3' 110.676 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.568 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 3' ' ' THR . 7.2 t 83.7 113.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 174.83 123.2 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.0 -163.08 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 31.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -68.86 138.34 90.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.74 2.63 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 150.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -114.84 157.02 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' THR . 2.1 tpt180 -87.73 -48.2 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 10' ' ' ARG . 2.4 t 42.96 83.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.0 OUTLIER -33.11 106.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.2 OUTLIER -33.72 154.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB2' ' OP1' ' B' ' 107' ' ' ' DA' . 0.4 OUTLIER -118.9 -153.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -139.83 154.75 47.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.983 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.68 174.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 53.9 m-20 67.53 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.848 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.43 -65.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.346 . . . . 0.0 112.084 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.51 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.2 m-80 -84.3 -25.05 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.615 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . 34.39 86.4 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.36 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.3 Cg_exo -57.43 -51.16 8.98 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.76 2.307 . . . . 0.0 111.97 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 38.7 mttt 89.19 56.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.181 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.696 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 29.26 -152.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.16 178.449 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -129.5 176.34 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 H5'' ' B' ' 110' ' ' ' DG' . 1.1 mp -63.64 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 22.1 t -132.49 161.38 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -58.35 -19.05 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.409 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.669 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 19.6 t80 -79.71 -27.81 40.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.131 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.953 ' HB2' HD23 ' A' ' 25' ' ' LEU . 10.8 mmt -80.38 -46.02 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.901 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.5 m-85 -65.05 -45.98 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.551 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.9 t80 -65.57 -55.45 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.461 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.5 -16.59 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 8.5 m-20 -73.7 -49.26 26.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.289 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.847 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.8 mm-40 -63.64 -49.53 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.709 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.663 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -63.3 -67.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 178.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -9.03 -65.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.058 177.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 33.4 m-20 -71.72 -51.41 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -51.95 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.878 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 ' N ' HG22 ' A' ' 38' ' ' ILE . 54.8 t -49.06 -60.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.471 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -63.53 -10.57 18.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.131 -177.307 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 4.7 m -88.86 -27.7 20.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.28 -12.75 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.576 ' HB3' HG12 ' A' ' 46' ' ' ILE . 11.2 m-80 -142.84 60.22 9.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 39.4 Cg_exo -58.45 -18.09 37.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.795 2.33 . . . . 0.0 112.229 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -70.8 -56.81 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.725 HD12 ' CA ' ' A' ' 51' ' ' VAL . 7.3 pt -49.37 136.16 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.876 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -96.74 177.02 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.857 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' ' O2 ' ' B' ' 112' ' ' ' DT' . 2.0 t80 -37.61 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -72.45 -46.56 32.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.998 -176.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HG3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.94 -53.67 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.517 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 47' ' ' THR . 2.4 p -62.55 -33.25 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.027 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 48' ' ' PHE . . . -77.94 -78.44 0.79 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.48 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG2' " C5'" ' C' ' 121' ' ' ' DC' . 11.3 mtpp -39.33 -38.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -62.12 -53.3 57.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 177.072 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 19.8 mt -42.56 -39.45 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -65.13 -60.46 6.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 14.5 pt-20 -53.55 -55.18 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 27.3 mmmt -58.49 -32.45 68.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.7 t-105 -56.55 -53.32 58.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 3.1 mtpm? -87.63 -1.84 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -86.33 -28.25 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.303 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -59.61 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.943 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 153.05 152.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.443 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' CD ' HG23 ' A' ' 63' ' ' THR . 4.1 Cg_endo -45.3 -45.33 15.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 111.975 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.0 -42.0 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 178.05 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 10.0 mm-40 -62.05 -31.84 72.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.657 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.639 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.4 mtmm -76.69 -26.06 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.53 -59.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.406 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 7.5 Cg_endo -51.22 -56.08 3.39 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.86 2.374 . . . . 0.0 112.562 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -81.09 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.19 -176.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -41.79 -48.5 4.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.013 0.435 . . . . 0.0 110.313 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.63 -39.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.999 174.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -66.04 -10.78 43.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 174.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -82.89 -49.81 9.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.416 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.586 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -65.95 -28.75 69.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.024 174.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.13 80.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.543 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -70.59 -24.95 62.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.536 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -60.74 -46.04 91.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.457 177.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -66.57 -40.2 88.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -40.48 -61.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.657 177.048 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.696 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.39 -26.62 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.718 178.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.7 tt0 -51.99 -27.39 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -74.44 -38.02 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 177.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.594 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.1 tp10 -65.88 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.025 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -75.76 -46.16 32.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.615 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -54.05 -34.04 58.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.259 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.08 -22.21 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 176.424 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.751 ' O ' HD23 ' A' ' 92' ' ' LEU . 35.1 t80 -54.39 -38.53 66.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.07 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.32 -29.86 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.677 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.03 2.42 15.01 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.95 -45.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.643 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -73.44 -30.76 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.063 2 O4'-C1'-N19 111.574 4.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C1'-N19 112.071 5.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.933 2 O4'-C1'-N19 112.597 5.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.714 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.623 3 O4'-C1'-N19 111.82 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.714 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 2 O4'-C1'-N19 112.563 5.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C4'-C3' 110.174 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.465 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 3 O4'-C1'-N19 112.837 6.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.583 ' C2 ' ' HD2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.037 2 O4'-C1'-N19 113.069 6.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.64 ' O2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.525 1.773 2 O4'-C1'-N19 114.919 8.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.989 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 114.325 8.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 ' OP1' " H4'" ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.244 3 O4'-C1'-N19 112.357 5.696 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.613 ' P ' ' HG3' ' A' ' 36' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.653 2 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.634 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.495 -2.285 3 N19-C1'-C2' 105.722 -5.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.406 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.08 2 O4'-C1'-N19 112.447 5.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 2 O4'-C1'-N19 111.716 4.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.524 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.081 1 O4'-C4'-C3' 110.639 5.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.524 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 2 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.149 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.692 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.215 1 O4'-C4'-C3' 110.48 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.474 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.185 1 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.622 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.99 2 O4'-C1'-N19 112.767 6.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.608 ' C2 ' ' HE3' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.526 1.875 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.673 " H4'" ' OP1' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.561 3 O4'-C1'-N19 112.869 6.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.673 ' OP1' " H4'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.445 2 O4'-C1'-N19 112.375 5.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.183 1 O4'-C4'-C3' 109.764 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.73 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.243 2 O4'-C1'-N19 113.146 6.682 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 3 O4'-C1'-N19 112.482 5.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.628 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.993 1 O4'-C4'-C3' 110.169 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.628 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C4'-C3' 110.689 5.089 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG13 ' A' ' 2' ' ' VAL . 2.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 1' ' ' MET . 13.8 m -160.35 162.57 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 ' H73' ' B' ' 105' ' ' ' DT' . 0.2 OUTLIER -48.4 132.42 13.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 53.8 Cg_exo -51.97 -64.12 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.277 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 12.4 mtp180 -173.63 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -130.29 114.37 17.2 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 129.31 17.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -75.64 94.15 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.65 112.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -74.61 149.09 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.855 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 30.5 p 42.97 27.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.4 t -34.28 -43.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' CB ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.45 148.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.79 107.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.23 126.12 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 82.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER 171.07 130.59 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.799 ' CG ' HD22 ' A' ' 92' ' ' LEU . 23.6 Cg_endo -60.45 -63.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.829 2.353 . . . . 0.0 112.146 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' HD21 ' A' ' 87' ' ' LEU . 1.1 m-80 -84.74 -13.77 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.683 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . . . 35.02 92.33 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.249 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.8 Cg_exo -67.43 -43.97 5.23 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.889 2.393 . . . . 0.0 111.897 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 77.13 79.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -18.29 142.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.434 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.711 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -66.18 173.7 2.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -66.87 -164.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.562 176.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.5 t -132.45 159.4 39.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -60.65 -27.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 10.9 t80 -74.88 -21.26 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.964 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -83.7 -45.61 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.1 m-85 -63.36 -46.18 87.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.385 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.7 t80 -65.76 -51.3 60.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.76 -22.3 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 9.1 m-20 -71.08 -48.76 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.498 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' O ' HD13 ' A' ' 38' ' ' ILE . 51.3 mm-40 -62.7 -44.2 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.99 -72.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.723 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -7.66 -66.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 41' ' ' SER . 24.8 m-20 -66.81 -54.52 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.975 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -58.71 -70.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 38' ' ' ILE . 8.0 t -40.94 -63.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -63.64 -23.96 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.6 m -68.45 -27.16 65.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.686 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.95 -17.56 20.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.7 ' HB2' HD11 ' A' ' 46' ' ' ILE . 12.1 m-80 -137.61 60.36 25.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.2 Cg_exo -61.03 -10.02 13.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.807 2.338 . . . . 0.0 112.199 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' ILE . 55.2 m-20 -83.22 -59.08 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' HB ' ' A' ' 51' ' ' VAL . 3.4 pt -35.56 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.507 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -107.57 174.14 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.7 OUTLIER -35.31 -48.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.069 179.509 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.498 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -83.0 39.45 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -154.96 -49.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.892 0.377 . . . . 0.0 110.337 177.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.715 ' HB ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -78.52 -36.95 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.39 175.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.42 -48.06 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.297 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 17.1 mtpt -66.54 -41.22 89.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.386 . . . . 0.0 110.563 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 7.6 tptt -67.85 -27.11 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.686 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.64 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -64.63 -53.24 50.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.74 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.663 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -59.95 -54.36 38.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 58' ' ' LYS . 13.0 pt-20 -52.03 -47.94 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.638 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.597 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 8.7 mmmt -69.84 -23.75 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.959 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.8 t-105 -59.29 -56.23 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 8.5 mtmp? -80.97 -14.37 58.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.763 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -67.84 -38.13 82.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -54.56 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.915 -179.054 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 149.5 147.27 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 -178.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 63' ' ' THR . 100.0 Cg_exo -41.16 -44.46 5.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.576 2.184 . . . . 0.0 112.188 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -59.4 -47.69 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 178.326 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.76 -26.73 64.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.705 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 11.1 mtmt -80.38 -25.79 38.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.831 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -30.19 -51.44 0.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.352 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.9 Cg_exo -55.0 -56.72 2.15 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.507 2.138 . . . . 0.0 112.349 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.632 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.84 -59.5 2.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.165 -177.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -42.93 -47.12 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.32 178.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.15 -39.39 94.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -66.36 -9.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.511 173.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.847 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -86.11 -45.01 11.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.558 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.581 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -71.3 -24.98 62.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.979 174.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.42 63.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.612 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.711 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 11.0 t0 -72.79 -26.29 61.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 177.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.584 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 10.0 ttmt -61.26 -44.55 97.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.382 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -69.59 -44.09 71.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 176.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -38.84 -54.08 1.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.671 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -80.55 -25.37 38.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.64 178.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -55.66 -17.44 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 177.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 35.5 t -75.17 -48.01 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 14.0 pt-20 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -86.34 -50.79 6.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 110.491 177.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.552 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 22.4 pt-20 -54.65 -36.96 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.01 -41.43 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.367 176.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 52.3 t80 -36.62 -41.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.36 175.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 5.7 p30 -91.89 -30.79 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.852 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -79.77 11.8 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.571 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.69 -41.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -78.98 -30.46 44.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.142 2 O4'-C4'-C3' 110.393 4.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.8 2 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 2 O4'-C1'-N19 112.573 5.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.586 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.612 3 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.586 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.309 2 O4'-C4'-C3' 109.811 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.709 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.008 1 O4'-C4'-C3' 110.381 4.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.709 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.495 -2.266 2 O4'-C1'-N19 114.349 8.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.58 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 112.288 5.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.58 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.027 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.911 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.235 2 O4'-C4'-C3' 110.093 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 112.53 5.912 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.432 2 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.564 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.41 3 N19-C1'-C2' 105.724 -5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.423 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -1.965 2 O4'-C1'-N19 112.629 6.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.266 2 O4'-C4'-C3' 110.065 4.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.497 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.922 1 O4'-C4'-C3' 110.596 4.996 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.497 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.855 ' OP1' HG22 ' A' ' 11' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.101 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.721 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C4'-C3' 110.423 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.675 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C4'-C3' 109.887 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.675 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.126 2 O4'-C1'-N19 112.772 6.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.476 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 P--O5' 1.61 1.718 2 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.582 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.466 1 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.688 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.072 2 O4'-C1'-N19 114.581 8.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.688 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.041 2 O4'-C1'-N19 112.369 5.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.868 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 P--O5' 1.611 1.785 2 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.868 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.883 2 O4'-C1'-N19 113.078 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.4 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.855 3 O4'-C1'-N19 112.39 5.738 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.628 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.928 1 O4'-C4'-C3' 110.144 4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.628 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.074 2 O4'-C4'-C3' 110.616 5.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.5 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 1' ' ' MET . 66.1 t 54.59 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' PRO . 1.3 t -178.95 140.08 0.36 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.4 Cg_exo -52.14 -162.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.765 2.31 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -145.4 -41.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.1 69.82 0.33 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 5' ' ' ARG . 52.1 Cg_endo -69.42 99.65 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.772 2.314 . . . . 0.0 112.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.22 169.89 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 5.1 mmmt 83.88 -65.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 44.62 -154.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.744 ' C ' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER 62.59 128.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.744 HG22 ' C ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 164.46 -93.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.1 ptm180 28.26 64.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 15' ' ' LYS . 1.3 ttpt -96.11 40.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 51.58 169.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 158.23 78.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 4.9 m-20 158.52 148.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.934 ' CG ' HD22 ' A' ' 92' ' ' LEU . 17.9 Cg_endo -58.05 -57.53 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.784 2.323 . . . . 0.0 112.05 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.506 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 6.5 m-80 -106.0 -24.85 12.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.554 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 36.93 88.8 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.0 Cg_exo -55.22 -56.64 2.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.029 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 92.04 61.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.088 178.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.635 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 27.77 -151.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.357 177.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -133.67 -165.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.021 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.788 HD21 " C5'" ' B' ' 110' ' ' ' DG' . 1.8 mp -82.21 175.89 9.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 175.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.592 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.7 t -118.87 163.68 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.015 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -59.03 -19.64 45.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.58 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 15.7 t80 -80.11 -26.05 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.719 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.1 mmt -80.31 -46.56 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -65.6 -46.29 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.5 t80 -65.2 -51.68 59.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -58.54 -22.47 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 5.1 m-20 -67.78 -47.19 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.304 176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' HD13 ' A' ' 38' ' ' ILE . 8.9 mt-10 -65.94 -46.3 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.671 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -65.37 -72.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 9.8 ttt180 -8.07 -65.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -69.28 -53.35 20.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.827 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.48 -69.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.84 -59.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -62.61 -19.2 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.906 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.2 t -76.15 -28.86 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.649 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -91.88 -14.94 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 13.3 m-80 -138.21 61.52 27.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.8 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 31.6 Cg_exo -64.47 -10.98 26.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.933 2.422 . . . . 0.0 112.346 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -141.45 67.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.324 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.791 ' C ' HG23 ' A' ' 47' ' ' THR . 4.8 pt -129.03 -4.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 177.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 46' ' ' ILE . 1.6 p 84.24 157.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HZ ' ' N3 ' ' C' ' 120' ' ' ' DA' . 4.9 t80 -61.7 -34.73 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 53' ' ' LYS . . . -73.57 -0.41 54.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.506 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -105.32 -59.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.471 177.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -70.22 -44.58 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.031 178.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.07 -61.38 7.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 16.7 mtpt -60.9 -26.27 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.587 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -75.33 -26.25 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 8.9 mt -71.53 -46.2 60.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.562 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.37 -54.17 31.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.501 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 5.7 pt-20 -59.94 -55.3 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.771 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -60.92 -26.05 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.822 178.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.927 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 t-105 -60.46 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HD3' ' P ' ' C' ' 123' ' ' ' DA' . 30.3 mtmt -79.84 -4.75 53.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -78.06 -38.84 43.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.927 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.15 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.866 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 149.91 147.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.367 -178.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 63' ' ' THR . 99.1 Cg_exo -41.39 -44.9 5.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.159 . . . . 0.0 112.128 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -58.71 -48.25 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 178.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -58.24 -25.7 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 178.151 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 14.7 mtmt -80.83 -27.17 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -31.47 -50.97 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.295 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.5 Cg_exo -53.83 -56.4 2.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.67 -61.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.062 -178.087 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.8 tt0 -39.44 -50.17 2.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.13 -42.96 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.94 174.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.07 -17.0 21.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.438 173.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.854 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.58 -48.31 19.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -60.86 -29.5 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.126 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.08 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.783 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' HD13 ' A' ' 25' ' ' LEU . 36.9 t0 -72.71 -23.21 60.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.686 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -49.32 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -65.54 -39.02 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.43 176.346 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.558 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -42.95 -56.28 3.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 177.461 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.29 -25.68 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.727 178.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -55.02 -26.34 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 1.2 t -76.4 -34.63 58.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.412 177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.596 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 23.4 tp10 -67.46 -32.43 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.891 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -75.71 -46.12 32.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.669 178.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 83' ' ' SER . 3.5 pt-20 -53.65 -35.18 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.227 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.737 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -86.46 -23.23 26.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 176.186 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.75 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.9 t80 -53.19 -38.03 62.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.125 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.726 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 11.3 p30 -94.7 -30.36 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.699 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.737 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.43 2.25 14.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.1 t -131.49 -47.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.934 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -70.98 -31.35 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.842 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.148 2 O4'-C1'-N19 111.618 4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 2 O4'-C1'-N19 112.819 6.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.675 3 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C1'-N19 111.61 4.763 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.405 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.78 1 O4'-C4'-C3' 110.316 4.716 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.565 H2'' " C5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.945 2 O4'-C1'-N19 112.73 6.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.615 " C4'" ' OP1' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.619 2.6 2 O4'-C1'-N19 115.015 9.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.615 ' OP1' " C4'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.392 2 O4'-C1'-N19 114.119 7.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.788 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.61 1.695 1 O4'-C4'-C3' 110.206 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.587 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.522 1.37 2 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.522 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.446 3 N19-C1'-C2' 105.79 -5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.411 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.499 -1.935 2 O4'-C1'-N19 112.557 5.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.52 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C4'-C3' 110.694 5.094 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.522 " C2'" ' OP2' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.834 2 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.115 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.73 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C4'-C3' 110.509 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.427 ' N3 ' ' HZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 1.973 2 O4'-C1'-N19 113.176 6.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.809 2 O4'-C1'-N19 112.249 5.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.524 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.17 1 O4'-C4'-C3' 110.266 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.524 ' H71' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 2 O4'-C1'-N19 112.059 5.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.419 H2'' ' OP2' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.831 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.944 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.218 2 O4'-C4'-C3' 110.016 4.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.944 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 2 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 3 O4'-C1'-N19 112.575 5.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.632 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.236 1 O4'-C4'-C3' 110.198 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.632 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.652 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG21 ' C7 ' ' B' ' 105' ' ' ' DT' . 2.6 t -73.17 84.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.562 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -133.72 45.06 1.42 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 3' ' ' THR . 54.1 Cg_endo -69.74 -37.87 8.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.757 2.304 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.84 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -10.6 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.783 2.322 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.01 149.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.82 -179.02 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 53.5 -153.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 4.8 m 85.07 -59.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.749 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 0.7 OUTLIER 48.4 96.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 4.4 ptt-85 -32.87 119.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -111.11 -33.11 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 84.89 161.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 176.96 63.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 3.0 m-20 -162.42 156.03 17.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CG ' HD22 ' A' ' 92' ' ' LEU . 19.3 Cg_endo -58.77 -54.5 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.815 2.343 . . . . 0.0 112.046 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ALA . 13.6 m-80 -111.86 -21.3 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . . . 39.87 100.64 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.324 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.0 Cg_exo -65.88 -45.31 6.41 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.837 2.358 . . . . 0.0 111.96 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 86.44 50.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.262 177.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER 33.4 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 178.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' OD2' ' A' ' 77' ' ' ASP . . . -117.01 160.7 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.7 -163.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 175.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.589 ' H ' ' HG2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -137.05 160.46 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -62.16 -25.89 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 5.8 t80 -74.76 -21.73 59.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.52 -47.84 10.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.819 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -62.0 -45.99 91.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.725 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 8.0 t80 -65.73 -52.88 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.509 175.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -57.87 -17.29 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 10.1 m-20 -75.23 -48.87 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.419 177.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 38' ' ' ILE . 11.6 mm-40 -63.12 -46.18 88.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.659 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -64.05 -66.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.763 178.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttp180 -12.58 -63.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.156 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.604 ' OD2' HD13 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -70.18 -50.59 38.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.689 HG22 ' N ' ' A' ' 39' ' ' VAL . 1.3 mp -55.42 -70.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.853 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.689 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.5 t -47.13 -60.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.435 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -61.44 -20.26 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.015 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -76.04 -29.01 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -95.19 -10.79 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.587 ' O ' HG12 ' A' ' 46' ' ' ILE . 16.9 m-80 -140.78 61.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 16.7 Cg_exo -70.25 -0.37 7.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.918 2.412 . . . . 0.0 112.277 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -111.87 -46.42 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.413 -176.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.645 ' HB ' ' CB ' ' A' ' 50' ' ' GLN . 20.0 pt -35.29 -43.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.151 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.5 m 96.49 171.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -44.46 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.444 -178.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.2 -39.56 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.242 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 3.1 mm-40 -67.98 -58.29 4.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' A' ' 39' ' ' VAL . 9.7 p -63.41 -48.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.291 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.594 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -61.63 -63.37 4.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.836 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -58.91 -52.01 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.92 -21.25 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 35' ' ' ASN . 5.1 mt -68.69 -48.56 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.61 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -61.98 -50.36 66.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 8.6 pt-20 -54.64 -45.65 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.394 . . . . 0.0 110.616 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -70.08 -26.58 64.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.89 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.9 t-105 -58.18 -53.58 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 9.4 mttt -84.84 -13.32 51.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.842 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -70.72 -33.9 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -56.76 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.012 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.602 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER 152.41 149.69 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.469 -178.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.5 Cg_exo -42.2 -46.57 7.32 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.597 2.198 . . . . 0.0 112.251 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -59.07 -46.17 88.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 178.285 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 4.7 mm-40 -58.22 -28.66 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.712 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 17.9 mtmt -79.96 -25.45 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.937 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.2 mt-30 -27.52 -59.17 0.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.32 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 68' ' ' GLN . 6.7 Cg_endo -50.5 -56.63 2.91 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.88 2.387 . . . . 0.0 112.525 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -80.81 -62.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.136 -176.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.3 tm-20 -40.0 -50.9 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -59.29 -42.28 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -60.65 -18.79 55.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.504 173.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.819 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -72.64 -46.68 52.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.278 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.552 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 25.8 mt-30 -60.95 -38.28 85.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.033 173.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.69 68.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.757 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.646 ' OD2' ' HB1' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -85.42 -27.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.798 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 3.7 mtpp -63.06 -43.35 98.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.246 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -70.58 -42.55 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.324 175.664 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -39.58 -57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 177.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.2 -35.07 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 177.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -45.89 -25.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 178.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 3.1 t -73.64 -47.65 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.679 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 2.2 pt-20 -69.23 -13.07 62.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 2.4 pttt -87.81 -52.01 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.46 177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' N ' ' CG ' ' A' ' 85' ' ' LYS . 13.6 pt-20 -53.24 -33.65 53.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -83.21 -41.08 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.256 176.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.733 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.9 t80 -36.57 -41.75 0.32 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.328 175.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.2 p30 -92.55 -30.74 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 177.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -75.41 5.07 6.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.253 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.548 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -133.97 -46.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.679 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.95 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -68.31 -34.15 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.861 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.075 2 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 2 O4'-C1'-N19 112.41 5.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 2 O4'-C1'-N19 112.531 5.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.709 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.637 3 O4'-C4'-C3' 110.385 4.785 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.709 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.625 2 O4'-C1'-N19 111.807 5.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.471 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.614 2.116 1 O4'-C4'-C3' 110.345 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.487 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 2 O4'-C1'-N19 113.536 7.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.574 ' O2 ' ' CZ ' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.062 2 O4'-C1'-N19 113.138 6.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.71 2 O4'-C1'-N19 114.314 8.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.859 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.075 2 O4'-C4'-C3' 110.114 4.514 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.587 " H2'" ' H71' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.834 2 O4'-C1'-N19 112.398 5.748 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.599 ' P ' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C5'--C4' 1.523 1.443 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.495 -2.311 3 N19-C1'-C2' 105.969 -5.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.498 -2.045 2 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 2 O4'-C1'-N19 112.012 5.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.961 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.56 3 O4'-C4'-C3' 110.359 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.961 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.783 2 O4'-C4'-C3' 109.816 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.749 ' OP1' HG22 ' A' ' 12' ' ' THR . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.729 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 1 O4'-C4'-C3' 110.384 4.784 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.703 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 109.826 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.703 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.044 2 O4'-C1'-N19 112.816 6.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.688 2 O4'-C1'-N19 113.086 6.607 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.56 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.492 -2.582 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.707 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.118 2 O4'-C1'-N19 113.781 7.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.707 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.595 2 O4'-C1'-N19 112.269 5.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C4'-C3' 109.86 4.26 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.736 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.174 2 O4'-C1'-N19 113.166 6.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.737 3 O4'-C1'-N19 112.561 5.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.637 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C4'-C3' 110.141 4.541 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.637 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.942 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 3' ' ' THR . 7.4 p -79.18 -50.18 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.575 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.6 m -105.36 134.74 19.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.99 97.92 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mtm180 -130.85 -154.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.01 58.57 1.27 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HB2' ' H62' ' C' ' 123' ' ' ' DA' . 55.0 Cg_endo -69.74 80.28 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.748 2.298 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -173.17 -170.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 8' ' ' LYS . 14.2 mmtt 63.29 -154.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' C ' HG22 ' A' ' 11' ' ' THR . 2.6 ttm180 -78.52 -168.85 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.715 HG22 ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 156.46 -21.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ARG . 2.9 p 48.73 64.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -32.86 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.06 -160.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.1 tptt -131.22 166.93 20.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 164.07 97.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.5 m-20 159.19 143.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.904 ' CG ' HD22 ' A' ' 92' ' ' LEU . 20.2 Cg_endo -59.31 -59.49 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.838 2.359 . . . . 0.0 112.102 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-80 -102.21 -14.84 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . 34.81 91.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.451 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.619 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.5 Cg_exo -64.29 -38.76 33.26 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.835 2.357 . . . . 0.0 111.798 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 7.8 mttt 73.14 49.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.289 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.757 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.15 -159.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -129.13 176.72 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -64.79 -162.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 175.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.581 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -142.85 156.6 44.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.017 179.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.16 -25.21 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' CZ ' ' O2 ' ' C' ' 121' ' ' ' DC' . 7.1 t80 -75.88 -32.4 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.005 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 mmm -72.48 -44.32 62.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.1 m-85 -65.97 -50.49 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 0.0 110.607 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.8 t80 -63.88 -69.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.566 177.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -36.47 -38.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -58.81 -52.36 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 38' ' ' ILE . 5.8 mm-40 -63.17 -45.96 89.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.6 m-80 -80.3 -3.36 49.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -75.7 -53.29 8.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.44 178.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -73.24 -36.21 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 176.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -65.9 -70.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 177.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ASN . 94.4 t -45.64 -55.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 25.1 ttt-85 -62.75 -29.5 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -64.9 -27.87 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.533 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -98.66 -10.81 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.632 ' HB2' HD11 ' A' ' 46' ' ' ILE . 10.9 m-80 -149.78 61.12 4.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 25.4 Cg_exo -65.24 -2.77 6.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.849 2.366 . . . . 0.0 112.29 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -94.94 -50.25 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.329 -177.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -32.4 -58.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -177.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.92 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.5 m 93.85 155.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 1.5 t80 -32.99 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.623 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -64.91 -53.21 35.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.942 -176.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG2' ' C ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.25 -43.49 14.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.954 0.407 . . . . 0.0 110.635 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 47' ' ' THR . 4.7 p -64.94 -31.43 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.016 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.91 -65.91 2.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HG2' " O5'" ' C' ' 121' ' ' ' DC' . 15.7 mtpt -54.45 -31.8 56.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.479 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 6.3 tptt -73.61 -32.44 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 11.5 mt -63.52 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -70.04 -62.23 3.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 26.1 pt-20 -49.76 -43.23 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.653 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -71.64 -30.84 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 178.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.6 t-105 -54.3 -50.07 68.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CE ' ' OP1' ' C' ' 123' ' ' ' DA' . 16.1 mttm -90.76 -13.2 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.98 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -69.58 -33.27 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.37 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.888 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 151.42 148.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.44 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 63' ' ' THR . 91.3 Cg_exo -42.34 -46.55 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.478 2.119 . . . . 0.0 112.156 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -57.87 -46.4 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 178.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 3.4 mm-40 -59.14 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.665 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 16.8 mtmt -80.15 -25.21 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.831 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -30.18 -51.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.5 Cg_exo -55.17 -56.54 2.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.516 2.144 . . . . 0.0 112.373 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -80.66 -60.21 2.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.092 -177.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -42.38 -47.25 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 178.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -63.03 -39.84 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 174.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.97 -10.77 31.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 173.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.889 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -83.8 -48.48 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.517 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.592 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.89 -24.23 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.929 174.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.96 65.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.657 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 14.1 t0 -72.76 -23.74 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' CD ' ' OP1' ' C' ' 126' ' ' ' DA' . 0.6 OUTLIER -62.09 -46.64 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.345 176.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 34.4 mmtm -68.36 -44.91 74.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' NE ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -36.31 -59.77 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.283 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.757 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -71.41 -30.77 66.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 2.0 tt0 -50.14 -20.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -76.06 -46.16 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.666 177.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 81' ' ' TYR . 16.3 pt-20 -75.07 -11.14 60.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.642 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.2 OUTLIER -90.45 -50.19 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.443 176.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 12.2 pt-20 -55.24 -36.18 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.503 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -82.09 -41.07 21.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 176.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 92' ' ' LEU . 50.9 t80 -37.0 -42.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 175.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 38.8 m-80 -92.11 -30.26 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 177.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -78.7 10.71 3.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.573 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -140.42 -42.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.594 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -76.14 -31.87 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.79 178.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.053 2 O4'-C4'-C3' 110.354 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.838 2 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 2 O4'-C1'-N19 112.822 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.626 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.695 3 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.626 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.375 2 O4'-C1'-N19 111.304 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.499 -1.912 1 O4'-C4'-C3' 110.311 4.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.49 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 2 O4'-C1'-N19 113.438 7.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.492 ' OP2' ' HB2' ' A' ' 13' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.055 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.585 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.814 2 O4'-C1'-N19 115.141 9.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.927 ' C4 ' ' HE2' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.384 2 O4'-C4'-C3' 110.013 4.413 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.569 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.963 2 O4'-C1'-N19 112.041 5.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.615 ' C4 ' ' N4 ' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.523 1.53 2 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.615 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.482 3 N19-C1'-C2' 105.834 -5.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.065 2 O4'-C1'-N19 112.562 5.952 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.283 2 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.501 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.885 1 O4'-C4'-C3' 110.681 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.501 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.714 2 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C4'-C3' 110.111 4.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 1 O4'-C4'-C3' 110.426 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.457 ' N3 ' ' CZ ' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C4'-C3' 109.739 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.693 ' N4 ' ' N6 ' ' C' ' 122' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.184 2 O4'-C1'-N19 112.995 6.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.693 ' N6 ' ' N4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.717 2 O4'-C1'-N19 112.819 6.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.576 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.523 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.751 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.304 2 O4'-C1'-N19 114.538 8.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.751 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.433 2 O4'-C1'-N19 112.938 6.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.847 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.024 2 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.847 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.594 2 O4'-C1'-N19 113.079 6.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.712 3 O4'-C1'-N19 112.457 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.619 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.925 1 O4'-C4'-C3' 110.136 4.536 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.619 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.131 2 O4'-C4'-C3' 110.679 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.2 t 61.63 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 p -140.94 148.17 51.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 96.51 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.52 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -179.44 -54.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.8 Cg_exo -51.98 -162.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -97.98 160.62 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.89 16.36 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' O ' HG23 ' A' ' 11' ' ' THR . 2.9 tpp180 84.81 -64.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.873 HG21 ' OP1' ' C' ' 118' ' ' ' DG' . 0.2 OUTLIER 161.51 -168.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -30.85 109.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.009 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD2' ' C7 ' ' B' ' 108' ' ' ' DT' . 3.4 mmp_? -37.1 160.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.027 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 16.1 mmmt -89.12 -153.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -91.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CE ' ' OP1' ' B' ' 107' ' ' ' DA' . 0.0 OUTLIER 57.57 91.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 159.68 146.83 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.711 ' CG ' HD22 ' A' ' 92' ' ' LEU . 24.2 Cg_endo -61.03 -55.94 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.773 2.315 . . . . 0.0 112.072 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.527 ' ND2' ' HB3' ' A' ' 92' ' ' LEU . 3.1 m-80 -114.57 -32.69 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.69 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 60.41 91.69 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.662 ' HD3' ' CD1' ' A' ' 88' ' ' TYR . 22.5 Cg_endo -62.32 -58.25 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.913 2.409 . . . . 0.0 112.289 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.654 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 mtpp 100.6 75.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -33.48 158.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -74.53 -176.07 2.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.331 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.945 HD11 ' OP1' ' B' ' 110' ' ' ' DG' . 6.7 mp -74.03 -170.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.677 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.1 t -125.09 164.5 20.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -53.15 -26.48 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.3 t80 -75.16 -33.23 61.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.851 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 mmm -76.69 -38.49 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.099 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -68.27 -50.77 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.492 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 2.1 t80 -61.49 -67.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.399 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.629 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -35.85 -55.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.78 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -44.43 -51.03 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HD13 ' A' ' 38' ' ' ILE . 14.5 mt-10 -62.21 -59.33 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.5 m-80 -72.98 0.64 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.3 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.632 ' NE ' HD13 ' A' ' 55' ' ' LEU . 12.1 mmt180 -79.95 -50.28 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -72.11 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.335 175.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.1 mp -69.54 -71.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.849 177.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG1' HG23 ' A' ' 51' ' ' VAL . 93.0 t -43.43 -55.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' CZ ' ' OP2' ' B' ' 113' ' ' ' DC' . 2.5 ttt180 -62.95 -32.47 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.1 m -64.12 -23.08 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.81 -10.5 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.757 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.639 ' CB ' HD13 ' A' ' 46' ' ' ILE . 7.9 m-80 -140.33 58.15 10.03 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 24.2 Cg_exo -66.01 -3.92 9.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ILE . 34.8 m-20 -103.93 -52.5 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.434 -177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 43' ' ' ASN . 16.2 pt -33.74 -45.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.13 -177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.62 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.2 m 96.45 164.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -36.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.376 -179.032 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.615 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -23.0 -41.04 0.01 OUTLIER Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.207 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.5 mm-40 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.036 0.445 . . . . 0.0 110.505 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.616 HG23 ' CG1' ' A' ' 39' ' ' VAL . 5.3 p -64.6 -49.21 81.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -59.72 -64.46 4.19 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.696 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -57.11 -38.15 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.785 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 2.1 tptt -67.72 -26.07 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 ' NE ' ' A' ' 36' ' ' ARG . 14.6 mt -73.62 -35.89 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.636 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -66.42 -54.43 23.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.327 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.5 -55.72 27.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.6 mmmm -58.13 -27.11 63.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.795 ' O ' HD12 ' A' ' 62' ' ' LEU . 12.3 t-105 -62.51 -54.03 45.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.634 ' HD2' ' P ' ' C' ' 123' ' ' ' DA' . 10.4 mtpp -88.07 1.67 53.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.8 -41.31 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -46.21 -66.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.924 HG23 ' HD2' ' A' ' 64' ' ' PRO . 3.0 m 137.78 147.14 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.272 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.924 ' HD2' HG23 ' A' ' 63' ' ' THR . 81.1 Cg_exo -39.65 -49.54 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.658 2.239 . . . . 0.0 112.451 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -54.79 -47.35 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -59.63 -27.1 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.753 178.458 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HA ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -80.94 -23.55 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -31.86 -50.94 0.51 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 50.6 Cg_exo -54.12 -56.54 2.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.504 2.136 . . . . 0.0 112.426 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.82 -61.12 2.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.094 -177.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 2.6 tt0 -40.39 -49.33 2.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.325 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.48 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.928 174.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.27 -14.59 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.327 173.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -80.34 -42.94 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.304 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.99 -27.39 66.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.981 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.63 -47.96 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.899 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -71.7 -35.6 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.25 -45.84 76.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.509 177.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 1.2 mttt -67.38 -43.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -35.75 -60.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.667 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -77.99 -30.49 50.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.666 178.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 1.5 tt0 -40.93 -33.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.394 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.665 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 2.3 p -68.03 -52.07 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.369 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 15.2 tp10 -51.73 -27.37 11.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.66 ' HG3' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -79.77 -36.77 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 177.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.23 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.67 -40.36 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.308 175.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.742 ' O ' HD23 ' A' ' 92' ' ' LEU . 40.8 t80 -38.84 -40.4 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 175.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.554 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 4.2 p30 -93.57 -29.0 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.69 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.11 5.93 7.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.507 HG21 ' OD1' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -135.88 -43.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -73.22 -32.22 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.807 178.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.067 2 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 2 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.841 2 O4'-C1'-N19 113.041 6.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 2 O4'-C1'-N19 111.751 4.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.417 H2'' ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C4'-C3' 109.965 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.147 1 O4'-C4'-C3' 110.339 4.739 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.496 -2.181 2 O4'-C1'-N19 114.574 8.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.542 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.619 2.648 2 O4'-C1'-N19 113.398 6.997 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.654 ' C2 ' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 115.016 9.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.945 ' OP1' HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.617 2.391 1 O4'-C4'-C3' 110.173 4.573 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.844 2 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.523 1.534 2 O4'-C1'-N19 111.479 4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.535 ' OP2' ' CZ ' ' A' ' 40' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.463 3 N19-C1'-C2' 105.735 -5.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.405 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.073 2 O4'-C1'-N19 112.512 5.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 2 O4'-C4'-C3' 110.092 4.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.506 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.035 1 O4'-C4'-C3' 110.683 5.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.506 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.803 2 O4'-C4'-C3' 110.049 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.873 ' OP1' HG21 ' A' ' 11' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C4'-C3' 110.044 4.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.744 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C4'-C3' 110.411 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.414 " O5'" H2'' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C4'-C3' 110.054 4.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.483 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.841 2 O4'-C1'-N19 112.558 5.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.509 " O3'" ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.944 2 O4'-C1'-N19 113.775 7.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.634 ' P ' ' HD2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C3'--C2' 1.494 -2.384 2 O4'-C4'-C3' 110.064 4.464 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.659 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.073 2 O4'-C1'-N19 115.212 9.266 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.659 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 2 O4'-C1'-N19 112.114 5.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.32 2 O4'-C4'-C3' 109.898 4.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.641 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.742 2 O4'-C1'-N19 112.609 6.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.415 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.863 3 O4'-C1'-N19 114.187 7.984 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.615 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.978 1 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.615 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.051 2 O4'-C4'-C3' 110.625 5.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.736 0.303 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' ' OG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -47.77 -41.89 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.609 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -171.83 140.6 1.16 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.609 ' HD2' HG22 ' A' ' 3' ' ' THR . 54.0 Cg_exo -52.05 118.51 4.61 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.788 2.325 . . . . 0.0 112.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 28.4 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -139.82 45.65 0.9 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.64 153.09 69.93 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.777 2.318 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.98 168.97 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER 62.01 24.97 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.14 -39.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 3.0 m 79.39 24.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.84 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.673 ' H ' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -32.83 115.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.011 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' N ' ' OP2' ' B' ' 108' ' ' ' DT' . 0.0 OUTLIER -121.12 -80.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.8 ttmt -161.71 144.06 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 170.83 90.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER 159.48 134.08 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.996 ' HG3' HD11 ' A' ' 92' ' ' LEU . 26.5 Cg_endo -60.82 -63.53 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.847 2.365 . . . . 0.0 112.025 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 m-80 -92.75 -17.43 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CA ' ' HB3' ' A' ' 17' ' ' ASP . . . 36.57 88.79 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.188 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.657 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 28.1 Cg_exo -61.7 -34.84 82.83 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.823 2.349 . . . . 0.0 111.835 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 34.3 mttm 77.5 78.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.705 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -22.26 148.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.421 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -66.98 170.06 7.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.507 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.5 OUTLIER -62.58 -169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.647 176.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -127.61 162.84 25.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -61.33 -20.89 63.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 177.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.759 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 5.3 t80 -80.18 -23.24 41.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.009 ' HB2' HD23 ' A' ' 25' ' ' LEU . 13.0 mmt -82.58 -45.91 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.824 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.825 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.4 m-85 -64.16 -47.01 81.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 110.412 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 t80 -64.32 -51.21 64.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.474 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -56.52 -23.54 40.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -67.44 -49.72 62.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.843 ' O ' HD13 ' A' ' 38' ' ' ILE . 35.0 mm-40 -64.21 -43.97 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.834 ' C ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -63.39 -73.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.783 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 35' ' ' ASN . 5.8 ttt180 -5.91 -68.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.6 m-20 -68.57 -52.25 33.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -55.45 -69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' C ' ' A' ' 35' ' ' ASN . 2.1 p -44.16 -60.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.512 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.664 ' H ' HG13 ' A' ' 39' ' ' VAL . 9.6 ttt180 -68.06 -17.21 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 2.0 t -73.59 -32.17 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.2 -16.9 23.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.582 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.558 ' HB3' HG12 ' A' ' 46' ' ' ILE . 9.4 m-80 -139.06 59.63 15.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 42.7 Cg_exo -58.64 -12.84 15.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.856 2.371 . . . . 0.0 112.302 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.09 -54.16 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' CA ' ' A' ' 51' ' ' VAL . 6.3 pt -48.28 136.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.851 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.6 p -97.69 -176.9 3.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.767 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.725 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 4.6 t80 -39.79 -41.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.386 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.55 -39.54 97.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.937 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.639 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -89.21 -64.79 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 47' ' ' THR . 1.1 p -53.29 -35.77 24.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -78.44 -83.46 0.6 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 20.2 mttp -39.34 -43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 3.1 tptt -61.98 -50.38 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -36.68 -50.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.465 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.685 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -63.88 -43.56 97.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.226 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.45 -61.85 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 177.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 3.8 mtpp -63.73 -23.07 67.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.01 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -55.92 -51.8 66.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 110.539 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HA ' ' NZ ' ' A' ' 67' ' ' LYS . 8.8 mtmt -86.33 -14.4 43.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.863 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -73.15 -28.52 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.425 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -55.76 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.152 -178.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.2 m 148.98 144.71 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.188 -177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.1 Cg_exo -44.94 -22.6 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.664 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.863 ' H ' HG22 ' A' ' 63' ' ' THR . 2.8 tt0 -79.71 -41.52 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.884 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.644 ' O ' ' CE2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -70.05 -26.58 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 178.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 mttt -90.63 -27.88 18.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.731 ' HG2' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -45.35 -35.08 2.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HG2' ' A' ' 68' ' ' GLN . 34.0 Cg_exo -61.6 -51.29 4.26 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.526 2.15 . . . . 0.0 112.136 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.39 -55.52 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 24.8 tt0 -45.3 -46.58 12.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.303 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 68' ' ' GLN . . . -62.1 -39.9 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.851 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -64.1 -14.01 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.387 173.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.825 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.2 -45.96 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.35 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 3.5 mt-30 -63.95 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.091 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.74 89.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.757 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 12.4 t0 -73.76 -22.44 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -60.31 -46.16 90.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.492 178.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 2.5 tttt -68.01 -45.22 74.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.576 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -37.37 -57.42 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.626 177.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.66 -29.4 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 178.242 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.548 ' CB ' ' HA ' ' A' ' 79' ' ' LYS . 2.2 tt0 -49.21 -22.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 5.8 m -70.74 -47.65 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.737 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.5 pt-20 -72.82 -15.62 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 2.5 pttp -84.25 -45.38 12.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.613 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 83' ' ' SER . 18.8 pt-20 -62.68 -34.47 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.608 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -79.01 -43.16 24.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.091 176.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.897 ' N ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -37.1 -51.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.273 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 7.0 m-80 -72.9 -36.59 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.52 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -55.38 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -40.78 58.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.684 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.996 HD11 ' HG3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -38.0 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.826 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.131 2 O4'-C1'-N19 113.899 7.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 2 O4'-C1'-N19 112.484 5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.81 2 O4'-C1'-N19 112.292 5.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 2 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.518 " C2'" ' C8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C4'-C3' 109.973 4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.518 ' C8 ' " C2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.5 -1.811 1 O4'-C4'-C3' 110.229 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.495 ' C8 ' ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.59 2 O4'-C1'-N19 113.269 6.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.61 ' C2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C1'-N19 113.549 7.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.563 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.523 1.509 2 O4'-C1'-N19 113.678 7.348 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.972 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.125 1 O4'-C4'-C3' 109.924 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.589 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.893 2 O4'-C1'-N19 112.244 5.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.61 ' O2 ' ' CD1' ' A' ' 48' ' ' PHE . . . . . . . . 0 C5'--C4' 1.522 1.384 2 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.618 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.493 -2.466 3 N19-C1'-C2' 105.646 -5.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.412 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.498 -2.002 2 O4'-C1'-N19 112.687 6.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.17 2 O4'-C1'-N19 111.728 4.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.525 " H2'" ' C6 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.989 1 O4'-C4'-C3' 110.642 5.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.525 ' C6 ' " H2'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.061 2 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.054 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.758 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.255 1 O4'-C4'-C3' 110.357 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.897 " H4'" ' OP1' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.653 2 O4'-C1'-N19 111.767 4.959 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.897 ' OP1' " H4'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.706 2 O4'-C1'-N19 113.915 7.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.411 " O5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.746 2 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.559 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.456 2 O4'-C4'-C3' 110.201 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.663 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.044 3 O4'-C1'-N19 114.552 8.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.663 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 2 O4'-C1'-N19 112.506 5.883 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.721 ' C4 ' ' C5 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C4'-C3' 110.0 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.721 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.333 2 O4'-C1'-N19 113.32 6.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.406 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.722 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.57 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.209 4.609 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.57 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.099 2 O4'-C4'-C3' 110.633 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -52.71 -176.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -48.59 107.29 0.73 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 3' ' ' THR . 53.9 Cg_exo -51.97 -161.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 21.44 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 -78.51 -57.06 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.004 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 53.6 Cg_exo -52.12 137.87 53.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.01 104.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HD3' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -83.38 -68.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 11' ' ' THR . 4.3 ttp180 70.71 34.39 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.479 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 18.1 m -33.1 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' OP1' ' C' ' 118' ' ' ' DG' . 16.9 p 36.33 55.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 6.3 ptt85 -32.74 152.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -118.37 -19.85 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 85.87 174.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.895 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.2 pttp 166.07 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER 88.18 151.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.063 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.691 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.6 Cg_endo -58.42 -57.91 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.807 2.338 . . . . 0.0 112.178 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.609 ' OD1' ' CD1' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -100.38 -27.71 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 178.429 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.895 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . 37.6 84.05 0.19 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 50.9 Cg_exo -53.06 -52.62 8.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 111.913 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 88.64 57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.141 178.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.674 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 31.16 -153.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 178.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -126.69 171.55 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD23 ' HB2' ' A' ' 29' ' ' MET . 1.7 mp -62.06 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.61 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.556 ' C ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 t -134.41 161.74 34.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 30' ' ' PHE . . . -55.89 -17.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 177.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.846 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 12.6 t80 -80.29 -34.44 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.196 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.989 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.3 mmt -74.33 -42.14 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.9 m-85 -68.72 -51.31 42.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.659 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 5.3 t80 -60.96 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.367 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' NE ' ' A' ' 36' ' ' ARG . . . -49.48 -31.13 9.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 29' ' ' MET . 4.4 m-20 -56.08 -45.57 79.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.849 0.357 . . . . 0.0 110.457 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' ILE . 19.8 mm-40 -75.43 -36.07 60.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.1 m-80 -75.22 -71.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.684 ' NE ' ' HB1' ' A' ' 32' ' ' ALA . 72.2 mtt180 -20.43 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 m-20 -67.38 -51.97 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.971 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.04 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.734 ' N ' HG22 ' A' ' 38' ' ' ILE . 88.9 t -39.92 -62.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -60.89 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -178.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 13.5 t -66.67 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.698 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.12 -13.05 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.709 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.645 ' HB2' HD11 ' A' ' 46' ' ' ILE . 13.4 m-80 -140.44 60.77 14.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 19.3 Cg_exo -69.06 -1.58 8.14 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.975 2.45 . . . . 0.0 112.28 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.423 -176.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.665 ' O ' ' CB ' ' A' ' 47' ' ' THR . 3.6 pt -35.48 -44.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 6.7 m 99.89 159.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -38.95 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.437 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 48' ' ' PHE . . . -27.55 -33.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.138 -176.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.8 mm-40 -72.8 -56.32 5.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 52' ' ' GLY . 7.5 p -66.59 -50.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -55.96 -59.8 10.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.58 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 49' ' ' GLY . 5.1 mttt -60.89 -33.27 72.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.1 mmtt -71.29 -22.5 61.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.748 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 45.5 mt -74.02 -41.87 61.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -64.53 -52.61 41.69 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.289 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' HA ' ' A' ' 54' ' ' LYS . 8.9 pt-20 -60.14 -54.69 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 5.2 mmtt -59.26 -29.25 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.917 ' O ' HD12 ' A' ' 62' ' ' LEU . 16.3 t-105 -59.01 -58.1 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 34.0 mtmt -81.46 -2.77 50.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.792 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -80.3 -36.39 34.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.917 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -57.02 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER 150.75 147.44 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.459 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 63' ' ' THR . 98.0 Cg_exo -41.36 -45.57 5.82 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.587 2.192 . . . . 0.0 112.185 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -57.9 -48.56 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -57.85 -24.89 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.695 177.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 10.0 mtmt -81.29 -27.93 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.7 mt-30 -31.63 -50.44 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.302 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.4 Cg_exo -54.83 -56.23 2.59 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.554 2.169 . . . . 0.0 112.352 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.12 -61.07 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.5 tt0 -41.01 -49.52 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.041 0.448 . . . . 0.0 110.397 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.22 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.926 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.36 -15.9 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.431 173.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.823 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -76.92 -46.37 24.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.241 178.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt-30 -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.031 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.92 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.916 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 25' ' ' LEU . 16.2 t0 -74.33 -26.37 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.797 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.584 ' HD2' ' P ' ' C' ' 125' ' ' ' DC' . 15.7 mtpt -63.04 -49.15 75.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 12.1 ttmt -66.32 -38.35 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.367 175.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.565 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.37 -56.43 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.551 177.437 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.674 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -73.56 -29.84 62.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 0.6 OUTLIER -50.89 -28.64 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 178.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.484 177.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.594 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 10.6 tp10 -66.01 -31.27 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 88' ' ' TYR . 8.7 pttp -77.91 -46.67 20.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.696 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 4.1 pt-20 -52.64 -35.02 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -85.85 -27.21 25.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.4 176.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.775 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.8 t80 -48.22 -40.16 23.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.171 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.431 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . 4.1 m-80 -93.38 -31.88 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.707 177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -76.71 5.9 6.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.21 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.555 ' CG2' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -135.66 -42.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -70.94 -33.95 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.706 178.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.434 -1.106 2 O4'-C1'-N19 111.636 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 2 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 2 O4'-C1'-N19 113.19 6.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.662 ' N2 ' ' C2 ' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 3 O4'-C1'-N19 111.704 4.881 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.662 ' C2 ' ' N2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 2 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.476 ' C8 ' H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.174 1 O4'-C4'-C3' 110.314 4.714 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.504 ' C5 ' ' C7 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 2 O4'-C1'-N19 113.181 6.727 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.52 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.95 2 O4'-C1'-N19 113.649 7.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.558 " O3'" HD11 ' A' ' 25' ' ' LEU . . . . . . . . 0 P--O5' 1.61 1.721 2 O4'-C1'-N19 114.226 8.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.975 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.148 2 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.685 2 O4'-C1'-N19 112.285 5.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.591 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.967 2 O4'-C4'-C3' 110.134 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.515 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.496 -2.249 3 N19-C1'-C2' 106.035 -5.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.128 2 O4'-C1'-N19 112.118 5.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.035 2 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.997 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.493 -2.519 3 O4'-C4'-C3' 110.364 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.997 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.719 2 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 2 O4'-C4'-C3' 110.106 4.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.724 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.283 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.486 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.607 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.047 2 O4'-C1'-N19 112.713 6.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.471 " O3'" ' HE2' ' A' ' 60' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.626 2 O4'-C1'-N19 112.594 5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.58 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.431 1 O4'-C4'-C3' 110.171 4.571 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.711 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.021 2 O4'-C1'-N19 114.378 8.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.711 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 2 O4'-C1'-N19 111.848 5.06 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.132 2 O4'-C4'-C3' 110.04 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.707 ' C2 ' ' C2 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.954 2 O4'-C1'-N19 112.151 5.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.428 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.696 3 O4'-C1'-N19 114.339 8.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.617 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.918 1 O4'-C4'-C3' 110.102 4.502 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.617 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.097 2 O4'-C4'-C3' 110.636 5.036 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG11 ' C5 ' ' C' ' 125' ' ' ' DC' . 35.8 m -143.81 157.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.588 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -153.13 -68.62 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 3' ' ' THR . 54.3 Cg_endo -69.65 166.29 27.97 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.782 2.321 . . . . 0.0 112.303 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -160.72 60.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -45.0 -48.15 30.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_exo -52.01 113.8 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.772 2.315 . . . . 0.0 112.261 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -49.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 176.76 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -134.88 -172.8 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.69 ' C ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER 66.54 139.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.69 HG22 ' C ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 156.4 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' OP2' ' B' ' 108' ' ' ' DT' . 1.0 OUTLIER -32.56 108.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.56 -153.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -123.74 146.93 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 163.82 95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.577 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 m-20 159.02 143.02 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' HG2' ' CE2' ' A' ' 88' ' ' TYR . 31.9 Cg_endo -63.29 -58.45 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.111 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.3 m-80 -104.45 -18.61 14.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 33.11 89.67 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.205 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 27.6 Cg_exo -61.36 -41.75 39.3 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.0 111.851 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER 83.24 49.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.332 177.051 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.739 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 33.68 -162.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.026 177.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -116.78 179.99 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.975 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -70.64 -163.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 175.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.579 ' H ' ' HG2' ' A' ' 29' ' ' MET . 7.7 t -135.18 157.67 46.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . . . -61.16 -24.21 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 14.2 t80 -74.5 -25.11 59.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.946 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -80.99 -48.41 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -61.65 -46.53 89.36 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.42 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 4.1 t80 -65.31 -64.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -46.06 -23.63 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 29' ' ' MET . 11.9 m-20 -70.36 -48.08 57.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.952 ' O ' HD13 ' A' ' 38' ' ' ILE . 2.7 mm-40 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.3 m-80 -80.84 -13.54 58.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' NE ' ' OP1' ' B' ' 112' ' ' ' DT' . 4.0 ttt180 -64.32 -60.32 3.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 41' ' ' SER . 28.1 m-20 -70.4 -41.48 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.7 mp -59.81 -69.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' N ' HG22 ' A' ' 38' ' ' ILE . 92.2 t -44.88 -60.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.256 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -63.44 -22.18 66.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.045 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -71.09 -30.59 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.848 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.72 -14.57 24.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 12.6 m-80 -141.15 60.79 12.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 36.7 Cg_exo -59.14 -11.41 12.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.873 2.382 . . . . 0.0 112.347 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -55.62 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 51' ' ' VAL . 4.0 pt -44.04 136.5 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.305 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.038 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -87.55 -160.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.826 178.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CG ' ' O2 ' ' B' ' 112' ' ' ' DT' . 1.2 t80 -64.05 -36.66 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.355 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 53' ' ' LYS . . . -76.36 -4.83 80.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.127 -174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.17 -53.7 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 47' ' ' THR . 1.9 p -69.95 -34.93 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.089 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LEU . . . -71.78 -66.62 2.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.555 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HD2' ' HA2' ' A' ' 49' ' ' GLY . 5.4 mttt -55.05 -35.6 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 4.6 tptm -71.44 -29.37 64.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 7.6 mt -64.2 -43.18 95.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.701 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -67.91 -59.08 6.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.412 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 17.4 pt-20 -50.16 -44.02 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.594 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -71.04 -30.07 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.877 ' O ' HD12 ' A' ' 62' ' ' LEU . 14.0 t-105 -54.76 -51.18 66.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 10.0 mtmt -88.09 -13.74 40.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -68.09 -34.6 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.287 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -58.72 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.892 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER 150.28 147.64 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 -178.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 63' ' ' THR . 96.9 Cg_exo -41.39 -45.54 5.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.544 2.162 . . . . 0.0 112.127 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -58.08 -48.29 80.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.781 178.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -58.18 -24.8 60.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 9.5 mtmt -81.26 -27.62 35.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.716 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 3.4 mt-30 -31.14 -50.6 0.42 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 51.2 Cg_exo -54.36 -56.9 2.12 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.509 2.139 . . . . 0.0 112.357 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CG ' ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.084 -177.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.797 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -40.76 -49.55 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 178.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -60.95 -42.15 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.859 174.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -61.25 -14.55 26.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.387 173.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.851 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -78.11 -45.73 22.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.31 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -62.6 -32.02 72.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.73 -48.81 73.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.836 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 t0 -70.74 -25.15 62.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' CD ' " O5'" ' C' ' 125' ' ' ' DC' . 0.0 OUTLIER -60.03 -48.5 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.391 177.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -68.51 -40.59 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.46 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -39.4 -57.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.535 177.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.41 -33.6 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.562 177.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 2.0 tt0 -47.49 -23.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.447 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.6 m -72.91 -45.74 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.778 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.801 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.6 pt-20 -72.61 -12.77 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 0.0 OUTLIER -86.18 -46.12 10.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.438 176.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 83' ' ' SER . 7.3 pt-20 -60.6 -35.65 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.944 HD23 ' N ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -80.19 -42.4 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.944 ' N ' HD23 ' A' ' 87' ' ' LEU . 6.3 t80 -34.24 -54.26 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.11 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 85' ' ' LYS . 2.0 m-80 -73.78 -37.52 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.727 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -50.25 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.723 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.8 -38.72 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 177.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 88' ' ' TYR . 1.1 tm? -36.55 -65.22 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.507 -1.121 2 O4'-C1'-N19 113.785 7.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 2 O4'-C1'-N19 112.492 5.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.869 2 O4'-C1'-N19 112.462 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.516 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.662 3 O4'-C1'-N19 111.657 4.821 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.516 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.272 2 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 1 O4'-C4'-C3' 110.28 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.479 H2'' " O5'" ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.685 2 O4'-C1'-N19 113.241 6.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.555 ' O2 ' ' HD3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.2 2 O4'-C1'-N19 113.086 6.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.529 " O5'" H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.734 2 O4'-C1'-N19 114.252 8.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.866 " C5'" HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.033 1 O4'-C4'-C3' 110.076 4.476 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.601 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.123 2 O4'-C1'-N19 112.607 6.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.601 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.588 2 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.651 " H4'" HG22 ' A' ' 47' ' ' THR . . . . . . . . 0 C3'--C2' 1.495 -2.32 3 N19-C1'-C2' 105.651 -5.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.418 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.056 2 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.215 2 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.497 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.962 1 O4'-C4'-C3' 110.614 5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.497 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.744 2 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C4'-C3' 110.146 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.736 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.129 1 O4'-C4'-C3' 110.497 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.725 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C4'-C3' 109.855 4.255 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.725 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.082 2 O4'-C1'-N19 112.881 6.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . 0.501 " O4'" ' CD2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.524 1.575 2 O4'-C1'-N19 112.911 6.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.63 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.49 -2.753 2 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.656 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 2 O4'-C1'-N19 113.608 7.261 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.656 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 2 O4'-C1'-N19 111.921 5.151 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.933 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.013 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.933 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 2 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 3 O4'-C1'-N19 112.548 5.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.583 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C4'-C3' 110.204 4.604 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.583 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.966 2 O4'-C4'-C3' 110.682 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 1' ' ' MET . 2.4 p 166.88 110.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.493 ' HB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -79.78 -52.0 1.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.493 ' HD3' ' HB ' ' A' ' 3' ' ' THR . 53.7 Cg_exo -51.92 159.54 3.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.309 . . . . 0.0 112.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 178.5 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -136.05 56.85 15.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_exo -51.74 155.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -142.48 76.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -122.57 -55.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 170.47 166.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 12' ' ' THR . 5.3 m -33.17 94.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.741 HG23 ' N ' ' A' ' 13' ' ' ARG . 2.0 t -54.55 -155.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER 30.9 95.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -127.04 -166.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -60.22 144.6 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 3.9 tttm 169.19 145.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB2' ' A' ' 20' ' ' ALA . 7.8 m-20 68.75 137.57 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.919 ' CG ' HD22 ' A' ' 92' ' ' LEU . 18.4 Cg_endo -58.58 -62.66 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.89 2.394 . . . . 0.0 112.048 178.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' ND2' ' CG2' ' A' ' 91' ' ' THR . 3.8 m-80 -95.25 -26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB2' ' CB ' ' A' ' 17' ' ' ASP . . . 35.63 86.52 0.13 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.292 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 52.0 Cg_exo -54.42 -49.76 15.79 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.777 2.318 . . . . 0.0 112.033 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER 92.28 55.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.146 178.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 32.17 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.018 178.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.549 ' CB ' ' HA ' ' A' ' 78' ' ' LYS . . . -127.71 -172.96 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD21 H5'' ' B' ' 110' ' ' ' DG' . 2.3 mp -76.74 -171.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.39 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -132.04 163.36 28.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -58.69 -17.05 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.401 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.656 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 18.8 t80 -80.59 -29.03 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.823 ' HB2' HD23 ' A' ' 25' ' ' LEU . 12.2 mmt -79.25 -45.24 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.835 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.85 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 3.9 m-85 -66.46 -45.42 79.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CG ' ' CE3' ' A' ' 59' ' ' TRP . 12.7 t80 -66.66 -55.35 15.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.504 176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 28' ' ' TYR . . . -55.79 -21.51 19.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 29' ' ' MET . 8.0 m-20 -68.92 -49.4 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.415 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.9 mm-40 -63.74 -47.01 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.806 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.667 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -62.9 -70.71 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.643 179.073 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.625 ' C ' ' O ' ' A' ' 35' ' ' ASN . 12.4 ttp85 -8.61 -65.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.124 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.617 ' O ' ' CB ' ' A' ' 41' ' ' SER . 67.3 m-20 -68.64 -53.87 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 34' ' ' GLU . 1.4 mp -56.82 -70.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.995 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 38' ' ' ILE . 40.7 t -47.31 -61.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.363 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.23 -15.86 58.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -177.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 1.8 t -75.57 -35.23 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.657 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -85.2 -16.85 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.139 0.495 . . . . 0.0 110.264 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.596 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.6 m-80 -137.22 62.49 38.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.715 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 44.7 Cg_exo -59.54 -10.76 12.07 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.007 2.472 . . . . 0.0 112.534 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -148.36 75.07 1.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.22 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.731 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -113.32 -38.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 176.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.731 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 24.1 m 123.65 156.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.76 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' N3 ' ' C' ' 119' ' ' ' DA' . 0.8 OUTLIER -55.09 -54.24 45.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 53' ' ' LYS . . . -67.87 -5.48 39.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.447 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.564 ' HB3' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -96.8 -78.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.564 178.004 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -53.02 -35.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.776 177.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.39 -81.43 0.45 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.533 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HD2' ' CA ' ' A' ' 49' ' ' GLY . 29.7 mttp -41.07 -50.22 3.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.998 0.428 . . . . 0.0 110.571 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -54.25 -51.68 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.767 178.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -41.38 -56.79 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.65 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' TRP . . . -54.93 -39.74 69.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.327 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.71 -54.61 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.932 0.396 . . . . 0.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -69.4 -20.13 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.908 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.981 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.0 t-105 -59.91 -57.6 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' OP1' ' C' ' 123' ' ' ' DA' . 50.6 mtmt -80.53 -14.62 58.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.657 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -66.65 -39.64 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -53.13 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.864 -179.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER 151.96 154.02 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 -178.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' HG23 ' A' ' 63' ' ' THR . 5.4 Cg_endo -46.21 -46.57 16.35 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.802 2.335 . . . . 0.0 111.877 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.59 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -58.82 -39.14 80.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 178.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 3.9 mm-40 -66.88 -26.74 67.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.785 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mtmt -80.36 -26.97 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.979 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.708 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 4.5 mt-30 -32.5 -50.57 0.58 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 68' ' ' GLN . 52.0 Cg_exo -52.65 -57.06 2.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.453 2.102 . . . . 0.0 112.357 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -82.15 -61.66 1.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.046 -177.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.776 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.0 tt0 -39.6 -50.09 2.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.376 178.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -61.01 -43.07 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.965 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -59.37 -16.14 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 173.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.85 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -77.5 -46.49 22.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.325 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 72' ' ' ALA . 17.6 mt-30 -63.75 -28.31 69.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.137 174.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.528 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -68.98 -46.01 69.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.891 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.521 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 10.3 t0 -73.83 -24.93 59.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -64.84 -43.73 92.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 177.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 82' ' ' GLU . 12.9 pttt -67.21 -39.8 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' CA ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -43.45 -56.3 3.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 176.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.675 ' CE2' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.01 -23.24 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 85' ' ' LYS . 1.3 tt0 -55.93 -26.5 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 37.8 m -75.41 -34.56 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.301 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 21' ' ' PRO . 18.4 tp10 -67.14 -34.44 77.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.624 ' HE3' ' P ' ' C' ' 127' ' ' ' DC' . 3.9 ptmm? -73.52 -47.12 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 83' ' ' SER . 2.5 pt-20 -53.63 -34.57 58.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -87.69 -22.14 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.458 176.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.754 ' O ' HD23 ' A' ' 92' ' ' LEU . 36.7 t80 -54.98 -38.68 68.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.184 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.5 p30 -95.44 -29.42 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.657 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -77.75 2.19 17.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.985 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 92' ' ' LEU . 1.2 t -131.28 -45.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.919 HD22 ' CG ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -74.13 -30.9 62.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.301 2 O4'-C1'-N19 113.954 7.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 2 O4'-C1'-N19 112.649 6.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.527 " H4'" ' OP1' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.921 2 O4'-C1'-N19 114.779 8.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.566 " H4'" ' OP1' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.566 ' OP1' " H4'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.092 2 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.703 ' C6 ' ' N6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.124 1 O4'-C4'-C3' 110.387 4.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.703 ' N6 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.497 -2.12 2 O4'-C1'-N19 114.183 7.979 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.566 " O4'" ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.51 2 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' O2 ' ' SD ' ' A' ' 29' ' ' MET . . . . . . . . 0 C5'--C4' 1.527 2.052 2 O4'-C1'-N19 113.875 7.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.868 H5'' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.156 2 O4'-C4'-C3' 110.178 4.578 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 " H2'" ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.122 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.592 ' C6 ' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.812 2 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.565 ' N4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.443 3 N19-C1'-C2' 105.652 -5.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.422 " C5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.153 2 O4'-C1'-N19 112.607 6.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 2 O4'-C4'-C3' 110.115 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.505 H2'' " C5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.904 1 O4'-C4'-C3' 110.655 5.055 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.505 " C5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.796 2 O4'-C4'-C3' 110.022 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 119' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.123 1 O4'-C4'-C3' 110.109 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DA' . . . . . 0.726 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C4'-C3' 110.456 4.856 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' C6 ' ' C4 ' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.29 1 O4'-C4'-C3' 109.912 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.599 ' O2 ' ' CZ ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.811 2 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.554 2 O4'-C1'-N19 112.312 5.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.57 ' C8 ' ' H71' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.494 -2.391 1 O4'-C4'-C3' 110.119 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.701 " H4'" ' OP1' ' C' ' 125' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.079 2 O4'-C1'-N19 114.523 8.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . 0.701 ' OP1' " H4'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.833 2 O4'-C1'-N19 112.443 5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.868 " H4'" ' OP1' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 2 O4'-C1'-N19 111.984 5.23 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.868 ' OP1' " H4'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 2 O4'-C1'-N19 113.045 6.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' ' DC' . . . . . 0.417 H2'' ' H6 ' ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.635 3 O4'-C1'-N19 112.613 6.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.56 " H2'" ' C5 ' ' C' ' 130' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C4'-C3' 110.16 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ' DC' . . . . . 0.56 ' C5 ' " H2'" ' C' ' 129' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.107 2 O4'-C4'-C3' 110.705 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_